Vitas-M small molecule compound
N-[(17Z)-3-hydroxy-16,22-dioxocholesta-5,17-dien-27-yl]acetamide
Catalog ID
STK366228
SMILES CC(CNC(=O)C)CCC(=O)/C(=C/1\C(=O)CC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)/C
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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 C29H43NO4 MW 469.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43NO4/c1-17(16-30-19(3)31)6-9-25(33)18(2)27-26(34)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17,21-24,32H,6,8-16H2,1-5H3,(H,30,31)/b27-18+InChIKey
ALRNNHYLXQPKKR-OVVQPSECSA-NSynonyms
CC(CCC(=O)C(=C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C)CNC(=O)C
CC(CNC(=O)C)CCC(=O)C(=C1C(=O)CC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C
InChI=1SC29H43NO4c117(163019(3)31)6925(33)18(2)2726(34)15242287201421(32)101228(204)23(22)111329(2427)5h717212432H6816H215H3(H3031)b2718+
MFCD00327323
N((17Z)3hydroxy1622dioxocholesta517dien27yl)acetamide
N((6Z)6(3hydroxy1013dimethyl16oxo23478911121415decahydro1Hcyclopenta(a)phenanthren17ylidene)2methyl5oxoheptyl)acetamide
ZINC000253498079
ZINC000253498082
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