Vitas-M small molecule compound
methyl 8-nitro-4-(piperidin-1-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Catalog ID
STK776356
SMILES COC(=O)C1(N=C(N2CCCCC2)n2c(=N1)sc1c2ccc(c1)[N+](=O)[O-])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 C17H16F3N5O4S MW 443.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N5O4S/c1-29-13(26)16(17(18,19)20)21-14(23-7-3-2-4-8-23)24-11-6-5-10(25(27)28)9-12(11)30-15(24)22-16/h5-6,9H,2-4,7-8H2,1H3InChIKey
OFGQHDCQIUIJQA-UHFFFAOYSA-NSynonyms
COC(=O)C1(N=C(N2C3=C(C=C(C=C3)(N+)(=O)(O))SC2=N1)N4CCCCC4)C(F)(F)F
COC(=O)C1(N=C(N2CCCCC2)n2c(=N1)sc1c2ccc(c1)(N+)(=O)(O))C(F)(F)F
InChI=1SC17H16F3N5O4Sc12913(26)16(17(1819)20)2114(237324823)24116510(25(27)28)912(11)3015(24)2216h569H2478H21H3
methyl8nitro4(piperidin1yl)2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
METHYL8NITRO4PIPERIDIN1YL2(TRIFLUOROMETHYL)(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLATE
MFCD05258913
ZINC000012417431
ZINC000012417433
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