Vitas-M small molecule compound
N~2~-{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}-2-methyl-N-[4-(morpholin-4-yl)phenyl]-N~2~-[4-(trifluoromethyl)benzyl]alaninamide
Catalog ID
STL439362
SMILES O=C(N(C(C(=O)Nc1ccc(cc1)N1CCOCC1)(C)C)Cc1ccc(cc1)C(F)(F)F)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2
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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 C38H43F3N4O3 MW 660.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43F3N4O3/c1-24-33(29-8-6-7-9-31(29)42-24)34-30(36(34,2)3)22-32(46)45(23-25-10-12-26(13-11-25)38(39,40)41)37(4,5)35(47)43-27-14-16-28(17-15-27)44-18-20-48-21-19-44/h6-17,30,34,42H,18-23H2,1-5H3,(H,43,47)InChIKey
QFFSAIXFHNCGDP-UHFFFAOYSA-NSynonyms
2((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((4(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)2METHYLN(4MORPHOLIN4YLPHENYL)PROPANAMIDE
2(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(4(TRIFLUOROMETHYL)BENZYL)ACETAMIDO)2METHYLN(4MORPHOLINOPHENYL)PROPANAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=C(C=C4)C(F)(F)F)C(C)(C)C(=O)NC5=CC=C(C=C5)N6CCOCC6
InChI=1SC38H43F3N4O3c12433(29867931(29)4224)3430(36(342)3)2232(46)45(2325101226(131125)38(3940)41)37(45)35(47)4327141628(171527)44182048211944h617303442H1823H215H3(H4347)
MFCD29709760
N~2~((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)2methylN(4(morpholin4yl)phenyl)N~2~(4(trifluoromethyl)benzyl)alaninamide
O=C(N(C(C(=O)Nc1ccc(cc1)N1CCOCC1)(C)C)Cc1ccc(cc1)C(F)(F)F)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000150346579
ZINC000150547839
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