Vitas-M small molecule compound

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

Catalog ID
STK776358
SMILES COC(=O)C1(N=c2sc3c(n2C(=N1)N1CCCCC1)cccc3)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 C17H17F3N4O2S MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4O2S/c1-26-13(25)16(17(18,19)20)21-14(23-9-5-2-6-10-23)24-11-7-3-4-8-12(11)27-15(24)22-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey
DJNFRYGKBOUQEO-UHFFFAOYSA-N
Synonyms

COC(=O)C1(N=C(N2C3=CC=CC=C3SC2=N1)N4CCCCC4)C(F)(F)F
InChI=1SC17H17F3N4O2Sc12613(25)16(17(1819)20)2114(2395261023)2411734812(11)2715(24)2216h3478H256910H21H3
methyl4(piperidin1yl)2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
METHYL4PIPERIDIN1YL2(TRIFLUOROMETHYL)(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLATE
MFCD05258915
ZINC000004623797
ZINC000004623800

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Available files

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