Vitas-M small molecule compound
ethyl 4-carbamoyl-5-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2-carboxylate
Catalog ID
STK968363
SMILES CCOC(=O)c1sc(c(c1C)C(=O)N)NC(=O)c1nn2c(n1)nc(cc2C(F)F)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 C17H16F2N6O4S MW 438.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F2N6O4S/c1-4-29-16(28)10-7(3)9(12(20)26)15(30-10)23-14(27)13-22-17-21-6(2)5-8(11(18)19)25(17)24-13/h5,11H,4H2,1-3H3,(H2,20,26)(H,23,27)InChIKey
BEAKMTXUXLMEJQ-UHFFFAOYSA-NSynonyms
674807-79-5674807795
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C(F)F)C(=O)N)C
ethyl4carbamoyl5(((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidin2yl)carbonyl)amino)3methylthiophene2carboxylate
ethyl4carbamoyl5((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carbonyl)amino)3methylthiophene2carboxylate
InChI=1SC17H16F2N6O4Sc142916(28)107(3)9(12(20)26)15(3010)2314(27)132217216(2)58(11(18)19)25(17)2413h511H4H213H3(H22026)(H2327)
MFCD02243655
ZINC000002769510
ZINC02769510
ZINC2769510
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