Vitas-M small molecule compound
ethyl (2E)-2-(2-hydroxy-5-nitrobenzylidene)-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK688355
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C\c1cc(ccc1O)[N+](=O)[O-])/s2)c1ccccc1
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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 C26H19N3O6S2 MW 533.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O6S2/c1-2-35-25(32)21-22(15-7-4-3-5-8-15)27-26-28(23(21)19-9-6-12-36-19)24(31)20(37-26)14-16-13-17(29(33)34)10-11-18(16)30/h3-14,23,30H,2H2,1H3/b20-14+InChIKey
GFATUEYEFKGYQF-XSFVSMFZSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1cc(ccc1O)(N+)(=O)(O))s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=C(C=CC(=C4)(N+)(=O)(O))O)S2)C5=CC=CC=C5
ETHYL(2E)2((2HYDROXY5NITROPHENYL)METHYLIDENE)3OXO7PHENYL5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(2hydroxy5nitrobenzylidene)3oxo7phenyl5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H19N3O6S2c123525(32)2122(157435815)272628(23(21)1996123619)24(31)20(3726)14161317(29(33)34)101118(16)30h3142330H2H21H3b2014+
MFCD07657393
ZINC000100214973
ZINC000100214977
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