Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylaspartic acid
Catalog ID
STL529006
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(C)C)/CC[C@]12C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H45N3O8 MW 599.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45N3O8/c1-6-32(42)14-11-23-21-8-7-19-15-20(9-12-30(19,4)22(21)10-13-31(23,32)5)35-43-17-25(36)34-27(18(2)3)28(39)33-24(29(40)41)16-26(37)38/h1,15,18,21-24,27,42H,7-14,16-17H2,2-5H3,(H,33,39)(H,34,36)(H,37,38)(H,40,41)/b35-20+/t21?,22?,23?,24?InChIKey
WYUHHNBNAWYJMG-ZNVPALRSSA-NSynonyms
16398139
2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)butanedioicacid
2(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)succinicacid
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(C)C)CC(C@)12C
InChI=1SC32H45N3O8c1632(42)1411232187191520(91230(194)22(21)101331(2332)5)35431725(36)3427(18(2)3)28(39)3324(29(40)41)1626(37)38h1151821242742H7141617H225H3(H3339)(H3436)(H3738)(H4041)b3520+t21?22?23?24?27?303132+m0s1
MFCD03660521
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylasparticacid
ZINC000070673282
ZINC000253506722
Check stock
See real-time availability and sample size for STL529006 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.