Vitas-M small molecule compound
5-methoxy-3-{2-[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]ethyl}-1H-indole-2-carboxylic acid
Catalog ID
STL526068
SMILES COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OC1CCC3[C@]1(C)CCC1C3CCC3=CC(=O)CC[C@]13C)c([nH]2)C(=O)O
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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 C35H44N2O7 MW 604.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N2O7/c1-34-15-12-21(38)18-20(34)4-6-24-26-7-9-29(35(26,2)16-13-27(24)34)44-31(40)11-10-30(39)36-17-14-23-25-19-22(43-3)5-8-28(25)37-32(23)33(41)42/h5,8,18-19,24,26-27,29,37H,4,6-7,9-17H2,1-3H3,(H,36,39)(H,41,42)/t24?,26?,27?,29?,34-,35-/m0/InChIKey
DWMYNKHBZJVIJZ-ZSELCCDPSA-NSynonyms
3(2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)ethyl)5methoxy1~(H)indole2carboxylicacid
3(2(4(((8R9S10R13S14S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)ethyl)5methoxy1Hindole2carboxylicacid
44662483
5methoxy3(2((4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)amino)ethyl)1Hindole2carboxylicacid
COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OC1CC(C@@H)3(C@)1(C)CC(C@H)1(C@H)3CCC3=CC(=O)CC(C@)13C)c((nH)2)C(=O)O
InChI=1SC35H44N2O7c134151221(38)1820(34)4624267929(35(262)161327(24)34)4431(40)111030(39)36171423251922(433)5828(25)3732(23)33(41)42h5818192426272937H467917H213H3(H3639)(H4142)t24?26?27?29?3435m0s1
MFCD02925481
ZINC000253504805
ZINC000253504812
Check stock
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