Vitas-M small molecule compound
4-{[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]methyl}benzoic acid
Catalog ID
STL526590
SMILES O=C(NCc1ccc(cc1)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/c1-30-15-13-22(33)17-21(30)7-8-23-24-9-10-26(31(24,2)16-14-25(23)30)38-28(35)12-11-27(34)32-18-19-3-5-20(6-4-19)29(36)37/h3-6,17,23-26H,7-16,18H2,1-2H3,(H,32,34)(H,36,37)/t23?,24?,25?,26?,30-,31-/m0/s1InChIKey
UERBGZSPLHPNNH-HNFVTTJXSA-NSynonyms
16397362
4(((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)methyl)benzoicacid
4(((4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)amino)methyl)benzoicacid
4((4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)methyl)benzoicacid
InChI=1SC31H39NO6c130151322(33)1721(30)78232491026(31(242)161425(23)30)3828(35)121127(34)3218193520(6419)29(36)37h36172326H71618H212H3(H3234)(H3637)t23?24?25?26?3031m0s1
MFCD03005660
O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000012660476
ZINC000253500026
Check stock
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