Vitas-M small molecule compound
(10E)-7-(4-chlorophenyl)-10-(4-hydroxy-3,5-dinitrobenzylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK796727
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)/s3)c1c(CC2)cccc1
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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 C27H17ClN4O6S MW 560.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClN4O6S/c28-17-8-5-16(6-9-17)24-19-10-7-15-3-1-2-4-18(15)23(19)29-27-30(24)26(34)22(39-27)13-14-11-20(31(35)36)25(33)21(12-14)32(37)38/h1-6,8-9,11-13,24,33H,7,10H2/b22-13+InChIKey
PTBVCQORAWLJQS-LPYMAVHISA-NSynonyms
(10E)7(4chlorophenyl)10(4hydroxy35dinitrobenzylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(4chlorophenyl)10(4hydroxy35dinitrobenzylidene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)Cl)C(=O)C(=CC6=CC(=C(C(=C6)(N+)(=O)(O))O)(N+)(=O)(O))S4
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))O)s3)c1c(CC2)cccc1
InChI=1SC27H17ClN4O6Sc28178516(6917)241910715312418(15)23(19)292730(24)26(34)22(3927)13141120(31(35)36)25(33)21(1214)32(37)38h168911132433H710H2b2213+
MFCD02771894
ZINC000100958363
ZINC000100958364
Check stock
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Check stock on Vitas-MAvailable files
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