Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl](prop-2-en-1-yl)amino}-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Catalog ID
STL403180
SMILES C=CCN(c1sc(c(n1)C(F)(F)F)C(=O)OCC)C(=O)/C=C/c1cnn(c1)C
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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 C17H17F3N4O3S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4O3S/c1-4-8-24(12(25)7-6-11-9-21-23(3)10-11)16-22-14(17(18,19)20)13(28-16)15(26)27-5-2/h4,6-7,9-10H,1,5,8H2,2-3H3/b7-6+InChIKey
VSGIIIHHPGAOGZ-VOTSOKGWSA-NSynonyms
1006345-23-81006345238
C=CCN(c1sc(c(n1)C(F)(F)F)C(=O)OCC)C(=O)C=Cc1cnn(c1)C
CCOC(=O)C1=C(N=C(S1)N(CC=C)C(=O)C=CC2=CN(N=C2)C)C(F)(F)F
ethyl2(((2E)3(1methyl1Hpyrazol4yl)prop2enoyl)(prop2en1yl)amino)4(trifluoromethyl)13thiazole5carboxylate
ethyl2(((E)3(1methylpyrazol4yl)prop2enoyl)prop2enylamino)4(trifluoromethyl)13thiazole5carboxylate
InChI=1SC17H17F3N4O3Sc14824(12(25)761192123(3)1011)162214(17(1819)20)13(2816)15(26)2752h467910H158H223H3b76+
MFCD08553887
ZINC000017089788
ZINC17089788
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