Vitas-M small molecule compound
methyl 8-(methylsulfonyl)-4-(morpholin-4-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Catalog ID
STK776194
SMILES COC(=O)C1(N=C(N2CCOCC2)n2c(=N1)sc1c2ccc(c1)S(=O)(=O)C)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 C17H17F3N4O5S2 MW 478.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4O5S2/c1-28-13(25)16(17(18,19)20)21-14(23-5-7-29-8-6-23)24-11-4-3-10(31(2,26)27)9-12(11)30-15(24)22-16/h3-4,9H,5-8H2,1-2H3InChIKey
COTUHAPXBDCCQL-UHFFFAOYSA-NSynonyms
COC(=O)C1(N=C(N2C3=C(C=C(C=C3)S(=O)(=O)C)SC2=N1)N4CCOCC4)C(F)(F)F
InChI=1SC17H17F3N4O5S2c12813(25)16(17(1819)20)2114(2357298623)24114310(31(226)27)912(11)3015(24)2216h349H58H212H3
methyl8(methylsulfonyl)4(morpholin4yl)2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
METHYL8METHYLSULFONYL4MORPHOLIN4YL2(TRIFLUOROMETHYL)(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLATE
MFCD05258673
ZINC000012417427
ZINC000012417429
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