Vitas-M small molecule compound
(2E)-4-[(4-ethyl-5-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK469887
SMILES CCc1c(C)sc(c1C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)/C=C/C(=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 C19H17F3N2O4S MW 426.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N2O4S/c1-3-13-10(2)29-18(24-14(25)7-8-15(26)27)16(13)17(28)23-12-6-4-5-11(9-12)19(20,21)22/h4-9H,3H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)/b8-7+InChIKey
UDNGRVQPOSCIAO-BQYQJAHWSA-NSynonyms
(2E)3(N(4ETHYL5METHYL3(N(3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4ethyl5methyl3((3(trifluoromethyl)phenyl)carbamoyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((4ethyl5methyl3((3(trifluoromethyl)phenyl)carbamoyl)thiophen2yl)amino)4oxobut2enoicacid
CCC1=C(SC(=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C=CC(=O)O)C
CCc1c(C)sc(c1C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)C=CC(=O)O
InChI=1SC19H17F3N2O4Sc131310(2)2918(2414(25)7815(26)27)16(13)17(28)231264511(912)19(2021)22h49H3H212H3(H2328)(H2425)(H2627)b87+
MFCD06025264
ZINC000017094785
ZINC17094785
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