Vitas-M small molecule compound
ethyl 3-[(4,6-bis{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)propanoate
Catalog ID
STK680979
SMILES CCOC(=O)CC(c1ccc(cc1)C)Nc1nc(nc(n1)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)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 C29H26F6N6O2 MW 604.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F6N6O2/c1-3-43-24(42)16-23(18-12-10-17(2)11-13-18)38-27-40-25(36-21-8-4-6-19(14-21)28(30,31)32)39-26(41-27)37-22-9-5-7-20(15-22)29(33,34)35/h4-15,23H,3,16H2,1-2H3,(H3,36,37,38,39,40,41)InChIKey
ISVUUOARHIHRGQ-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=C(C=C1)C)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F
ethyl3((46bis((3(trifluoromethyl)phenyl)amino)135triazin2yl)amino)3(4methylphenyl)propanoate
ETHYL3((46BIS(3(TRIFLUOROMETHYL)ANILINO)135TRIAZIN2YL)AMINO)3(4METHYLPHENYL)PROPANOATE
InChI=1SC29H26F6N6O2c134324(42)1623(18121017(2)111318)38274025(362184619(1421)28(3031)32)3926(4127)372295720(1522)29(3334)35h41523H316H212H3(H3363738394041)
MFCD03767917
ZINC000098005180
ZINC000098005181
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