Vitas-M small molecule compound
2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl][4-(trifluoromethyl)benzyl]amino}-N-(2,4,6-trimethylphenyl)-1,2,3,4,4a,9,9a,10-octahydroanthracene-2-carboxamide
Catalog ID
STL439318
SMILES Cc1cc(C)c(c(c1)C)NC(=O)C1(CCC2C(C1)Cc1c(C2)cccc1)N(C(=O)CN1C(=O)c2c(C1=O)cccc2)Cc1ccc(cc1)C(F)(F)F
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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 C42H40F3N3O4 MW 707.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40F3N3O4/c1-25-18-26(2)37(27(3)19-25)46-40(52)41(17-16-31-20-29-8-4-5-9-30(29)21-32(31)22-41)48(23-28-12-14-33(15-13-28)42(43,44)45)36(49)24-47-38(50)34-10-6-7-11-35(34)39(47)51/h4-15,18-19,31-32H,16-17,20-24H2,1-3H3,(H,46,52)InChIKey
MYRSWDAEJWDHBW-UHFFFAOYSA-NSynonyms
2(((13dioxo13dihydro2Hisoindol2yl)acetyl)(4(trifluoromethyl)benzyl)amino)N(246trimethylphenyl)12344a99a10octahydroanthracene2carboxamide
2((2(13DIOXOISOINDOL2YL)ACETYL)((4(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)N(246TRIMETHYLPHENYL)344A99A10HEXAHYDRO1HANTHRACENE2CARBOXAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)C2(CCC3CC4=CC=CC=C4CC3C2)N(CC5=CC=C(C=C5)C(F)(F)F)C(=O)CN6C(=O)C7=CC=CC=C7C6=O)C
InChI=1SC42H40F3N3O4c1251826(2)37(27(3)1925)4640(52)41(1716312029845930(29)2132(31)2241)48(2328121433(151328)42(4344)45)36(49)244738(50)3410671135(34)39(47)51h41518193132H16172024H213H3(H4652)
MFCD29709726
ZINC000150346556
ZINC000254869571
Check stock
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Check stock on Vitas-MAvailable files
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