Vitas-M small molecule compound
methyl 4-(morpholin-4-yl)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Catalog ID
STK786844
SMILES COC(=O)C1(N=C(N2CCOCC2)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 C16H14F3N5O5S MW 445.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N5O5S/c1-28-12(25)15(16(17,18)19)20-13(22-4-6-29-7-5-22)23-10-3-2-9(24(26)27)8-11(10)30-14(23)21-15/h2-3,8H,4-7H2,1H3InChIKey
FDUXMQIHPKKHBF-UHFFFAOYSA-NSynonyms
885440-18-6885440186
COC(=O)C1(N=C(N2C3=C(C=C(C=C3)(N+)(=O)(O))SC2=N1)N4CCOCC4)C(F)(F)F
COC(=O)C1(N=C(N2CCOCC2)n2c(=N1)sc1c2ccc(c1)(N+)(=O)(O))C(F)(F)F
InChI=1SC16H14F3N5O5Sc12812(25)15(16(1718)19)2013(2246297522)2310329(24(26)27)811(10)3014(23)2115h238H47H21H3
methyl4(morpholin4yl)8nitro2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
methyl4morpholin4yl8nitro2(trifluoromethyl)(135)triazino(21b)(13)benzothiazole2carboxylate
methyl4morpholino8nitro2(trifluoromethyl)2Hbenzo(45)thiazolo(32a)(135)triazine2carboxylate
MFCD06018496
ZINC000009344727
ZINC000009344731
Check stock
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Check stock on Vitas-MAvailable files
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