Vitas-M small molecule compound

methyl 4-(dimethylamino)-6-methyl-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate

Catalog ID
STK776093
SMILES COC(=O)C1(N=C(N(C)C)n2c(=N1)sc1c2c(C)ccc1)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 C15H15F3N4O2S MW 372.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F3N4O2S/c1-8-6-5-7-9-10(8)22-12(21(2)3)19-14(11(23)24-4,15(16,17)18)20-13(22)25-9/h5-7H,1-4H3
InChIKey
FVPZWHPIHXFKKV-UHFFFAOYSA-N
Synonyms

2H(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLICACID4(DIMETHYLAMINO)6METHYL2(TRIFLUOROMETHYL)METHYLESTER
CC1=C2C(=CC=C1)SC3=NC(N=C(N23)N(C)C)(C(=O)OC)C(F)(F)F
InChI=1SC15H15F3N4O2Sc18657910(8)2212(21(2)3)1914(11(23)24415(1617)18)2013(22)259h57H14H3
METHYL4(DIMETHYLAMINO)6METHYL2(TRIFLUOROMETHYL)(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLATE
methyl4(dimethylamino)6methyl2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
MFCD05258480
ZINC000004623610
ZINC000004623611

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.