Vitas-M small molecule compound
N-{4-oxo-4-[(3-oxoandrost-4-en-17-yl)oxy]butanoyl}valine
Catalog ID
STK997881
SMILES O=C(NC(C(=O)O)C(C)C)CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C
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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 C28H41NO6 MW 487.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41NO6/c1-16(2)25(26(33)34)29-23(31)9-10-24(32)35-22-8-7-20-19-6-5-17-15-18(30)11-13-27(17,3)21(19)12-14-28(20,22)4/h15-16,19-22,25H,5-14H2,1-4H3,(H,29,31)(H,33,34)InChIKey
FFOFTYSLCWUXBX-UHFFFAOYSA-NSynonyms
2((4((1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3methylbutanoicacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3methylbutanoicacid
CC(C)C(C(=O)O)NC(=O)CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI=1SC28H41NO6c116(2)25(26(33)34)2923(31)91024(32)352287201965171518(30)111327(173)21(19)121428(2022)4h1516192225H514H214H3(H2931)(H3334)
MFCD18185344
N(4oxo4((3oxoandrost4en17yl)oxy)butanoyl)valine
O=C(NC(C(=O)O)C(C)C)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000252602109
ZINC000252602112
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