Vitas-M small molecule compound

methyl 8-chloro-4-(piperidin-1-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate

Catalog ID
STK777182
SMILES COC(=O)C1(N=C(N2CCCCC2)n2c(=N1)sc1c2ccc(c1)Cl)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 C17H16ClF3N4O2S MW 432.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClF3N4O2S/c1-27-13(26)16(17(19,20)21)22-14(24-7-3-2-4-8-24)25-11-6-5-10(18)9-12(11)28-15(25)23-16/h5-6,9H,2-4,7-8H2,1H3
InChIKey
LZGGEGWUPXOOJP-UHFFFAOYSA-N
Synonyms

COC(=O)C1(N=C(N2C3=C(C=C(C=C3)Cl)SC2=N1)N4CCCCC4)C(F)(F)F
InChI=1SC17H16ClF3N4O2Sc12713(26)16(17(1920)21)2214(247324824)25116510(18)912(11)2815(25)2316h569H2478H21H3
methyl8chloro4(piperidin1yl)2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
METHYL8CHLORO4PIPERIDIN1YL2(TRIFLUOROMETHYL)(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLATE
MFCD05260117
ZINC000012417417
ZINC000012417420

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Available files

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