Vitas-M small molecule compound
dimethyl (2E)-5-amino-2-(4-nitrobenzylidene)-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Catalog ID
STK729799
SMILES COC(=O)C1=c2s/c(=C/c3ccc(cc3)[N+](=O)[O-])/c(=O)n2C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OC)N
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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 C24H18N4O9S MW 538.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O9S/c1-36-23(30)18-17(13-5-9-15(10-6-13)28(34)35)19(24(31)37-2)22-26(20(18)25)21(29)16(38-22)11-12-3-7-14(8-4-12)27(32)33/h3-11,17H,25H2,1-2H3/b16-11+InChIKey
WQMQKCRXKQHLCT-LFIBNONCSA-NSynonyms
(Z)dimethyl5amino2(4nitrobenzylidene)7(4nitrophenyl)3oxo37dihydro2Hthiazolo(32a)pyridine68dicarboxylate
COC(=O)C1=C(N2C(=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC)SC(=CC4=CC=C(C=C4)(N+)(=O)(O))C2=O)N
COC(=O)C1=c2sc(=Cc3ccc(cc3)(N+)(=O)(O))c(=O)n2C(=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OC)N
dimethyl(2E)5amino2(4nitrobenzylidene)7(4nitrophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarboxylate
dimethyl(2E)5amino7(4nitrophenyl)2((4nitrophenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine68dicarboxylate
InChI=1SC24H18N4O9Sc13623(30)1817(135915(10613)28(34)35)19(24(31)372)2226(20(18)25)21(29)16(3822)11123714(8412)27(32)33h31117H25H212H3b1611+
MFCD13371797
ZINC000102662837
ZINC000102662839
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