Vitas-M small molecule compound
N-(2,4-dimethoxyphenyl)-1-({[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}[4-(trifluoromethyl)benzyl]amino)cyclohexanecarboxamide
Catalog ID
STL439402
SMILES COc1cc(OC)ccc1NC(=O)C1(CCCCC1)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)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 C39H44F3N3O4 MW 675.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44F3N3O4/c1-24-34(28-11-7-8-12-30(28)43-24)35-29(37(35,2)3)22-33(46)45(23-25-13-15-26(16-14-25)39(40,41)42)38(19-9-6-10-20-38)36(47)44-31-18-17-27(48-4)21-32(31)49-5/h7-8,11-18,21,29,35,43H,6,9-10,19-20,22-23H2,1-5H3,(H,44,47)InChIKey
WEWYRGXTYVCFGT-UHFFFAOYSA-NSynonyms
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=C(C=C4)C(F)(F)F)C5(CCCCC5)C(=O)NC6=C(C=C(C=C6)OC)OC
COc1cc(OC)ccc1NC(=O)C1(CCCCC1)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1ccc(cc1)C(F)(F)F
InChI=1SC39H44F3N3O4c12434(2811781230(28)4324)3529(37(352)3)2233(46)45(2325131526(161425)39(4041)42)38(1996102038)36(47)4431181727(484)2132(31)495h78111821293543H691019202223H215H3(H4447)
MFCD29709793
N(24dimethoxyphenyl)1(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(4(trifluoromethyl)benzyl)amino)cyclohexanecarboxamide
N(24DIMETHOXYPHENYL)1((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((4(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(24DIMETHOXYPHENYL)1(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(4(TRIFLUOROMETHYL)BENZYL)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000150346612
ZINC000150646441
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