Vitas-M small molecule compound
benzyl (2E)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798984
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)[N+](=O)[O-])/s2)OCc1ccccc1
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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 C26H19N3O5S2 MW 517.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O5S2/c1-16-22(25(31)34-15-18-6-3-2-4-7-18)23(20-8-5-13-35-20)28-24(30)21(36-26(28)27-16)14-17-9-11-19(12-10-17)29(32)33/h2-14,23H,15H2,1H3/b21-14+InChIKey
ZNZLGOUXNZLUPT-KGENOOAVSA-NSynonyms
benzyl(2E)7methyl2((4nitrophenyl)methylidene)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)7methyl2(4nitrobenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC26H19N3O5S2c11622(25(31)3415186324718)23(2085133520)2824(30)21(3626(28)2716)141791119(121017)29(32)33h21423H15H21H3b2114+
MFCD03417962
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2)OCc1ccccc1
ZINC000016700605
ZINC000016700609
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