Vitas-M small molecule compound
ethyl 4-oxo-2,2-bis(trifluoromethyl)-3,4-dihydro-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-8-carboxylate
Catalog ID
STK792043
SMILES CCOC(=O)c1ccc2c(c1)sc1=NC(NC(=O)n21)(C(F)(F)F)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 C14H9F6N3O3S MW 413.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9F6N3O3S/c1-2-26-9(24)6-3-4-7-8(5-6)27-11-22-12(13(15,16)17,14(18,19)20)21-10(25)23(7)11/h3-5H,2H2,1H3,(H,21,25)InChIKey
IDQOBEBVPNMOCY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)N3C(=O)NC(N=C3S2)(C(F)(F)F)C(F)(F)F
ethyl4oxo22bis(trifluoromethyl)34dihydro2H(135)triazino(21b)(13)benzothiazole8carboxylate
ETHYL4OXO22BIS(TRIFLUOROMETHYL)3H(135)TRIAZINO(21B)(13)BENZOTHIAZOLE8CARBOXYLATE
InChI=1SC14H9F6N3O3Sc12269(24)63478(56)27112212(13(1516)1714(1819)20)2110(25)23(7)11h35H2H21H3(H2125)
MFCD05259904
ZINC000012411148
ZINC12411148
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