Vitas-M small molecule compound
4-[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]-3-phenylbutanoic acid
Catalog ID
STL526684
SMILES O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(c1ccccc1)CC(=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 C33H43NO6 MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO6/c1-32-16-14-24(35)19-23(32)8-9-25-26-10-11-28(33(26,2)17-15-27(25)32)40-31(39)13-12-29(36)34-20-22(18-30(37)38)21-6-4-3-5-7-21/h3-7,19,22,25-28H,8-18,20H2,1-2H3,(H,34,36)(H,37,38)/t22?,25?,26?,27?,28?,32-,33-/m0/s1InChIKey
CATZXTDLBUPYIP-PHNANHGXSA-NSynonyms
135639189
4((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3phenylbutanoicacid
4((4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)amino)3phenylbutanoicacid
4(4(((8R9S10R13S14S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3phenylbutanoicacid
InChI=1SC33H43NO6c132161424(35)1923(32)892526101128(33(262)171527(25)32)4031(39)131229(36)342022(1830(37)38)216435721h3719222528H81820H212H3(H3436)(H3738)t22?25?26?27?28?3233m0s1
MFCD03006039
O=C(CCC(=O)OC1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCC(c1ccccc1)CC(=O)O
ZINC001772492381
ZINC001772492384
Check stock
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