Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valine
Catalog ID
STL527561
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=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 C28H40N2O5 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O5/c1-6-28(34)14-11-22-20-8-7-18-15-19(9-12-26(18,4)21(20)10-13-27(22,28)5)30-35-16-23(31)29-24(17(2)3)25(32)33/h1,15,17,20-22,24,34H,7-14,16H2,2-5H3,(H,29,31)(H,32,33)/b30-19+/t20?,21?,22?,24?,26-,27-,28+/m0/s1InChIKey
HQERXKITKAPPQZ-OYULJMPSSA-NSynonyms
135639287
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoicacid
2(2((((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanoicacid
C#C(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NC(C(=O)O)C(C)C)CC(C@)12C
InChI=1SC28H40N2O5c1628(34)1411222087181519(91226(184)21(20)101327(2228)5)30351623(31)2924(17(2)3)25(32)33h1151720222434H71416H225H3(H2931)(H3233)b3019+t20?21?22?24?262728+m0s1
MFCD03660375
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valine
ZINC001772492157
ZINC001772492160
Check stock
See real-time availability and sample size for STL527561 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.