Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylasparagine
Catalog ID
STL528898
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)N)C(C)C)/CC[C@]12C
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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 C32H46N4O7 MW 598.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N4O7/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)36-43-17-26(38)35-27(18(2)3)28(39)34-24(29(40)41)16-25(33)37/h1,15,18,21-24,27,42H,7-14,16-17H2,2-5H3,(H2,33,37)(H,34,39)(H,35,38)(H,40,41)/b36-20+/t21?,22?,23?,24InChIKey
ABINSSSHOUBAOH-DJQNHXJLSA-NSynonyms
16398179
4amino2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)4oxobutanoicacid
4amino2(2(2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)4oxobutanoicacid
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)C(C)C)CC(C@)12C
InChI=1SC32H46N4O7c1632(42)1411232187191520(91230(194)22(21)101331(2332)5)36431726(38)3527(18(2)3)28(39)3424(29(40)41)1625(33)37h1151821242742H7141617H225H3(H23337)(H3439)(H3538)(H4041)b3620+t21?22?23?24?27?303132+m0s1
MFCD03660833
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylasparagine
ZINC000070673393
ZINC000253504042
Check stock
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Check stock on Vitas-MAvailable files
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