Vitas-M small molecule compound

[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino](phenyl)acetic acid

Catalog ID
STK999512
SMILES O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)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 C31H39NO6 MW 521.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39NO6/c1-30-16-14-21(33)18-20(30)8-9-22-23-10-11-25(31(23,2)17-15-24(22)30)38-27(35)13-12-26(34)32-28(29(36)37)19-6-4-3-5-7-19/h3-7,18,22-25,28H,8-17H2,1-2H3,(H,32,34)(H,36,37)/t22?,23?,24?,25?,28?,30-,31-/m0/s1
InChIKey
YSTHYYPRYHADNW-QCUSZSINSA-N
Synonyms

((4OXO4(((8XI9XI14XI)3OXOANDROST4EN17YL)OXY)BUTANOYL)AMINO)(PHENYL)ACETICACID
2((4(((10R13S)1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)2phenylaceticacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)2phenylaceticacid
CC12CCC3C(C1CCC2OC(=O)CCC(=O)NC(C4=CC=CC=C4)C(=O)O)CCC5=CC(=O)CCC35C
InChI=1SC31H39NO6c130161421(33)1820(30)892223101125(31(232)171524(22)30)3827(35)131226(34)3228(29(36)37)196435719h3718222528H817H212H3(H3234)(H3637)t22?23?24?25?28?3031m0s1
MFCD02058789
O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000008917964
ZINC000253498801

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.