Vitas-M small molecule compound
benzyl (2E)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798989
SMILES [O-][N+](=O)c1ccccc1/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
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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)34-15-17-8-3-2-4-9-17)23(20-12-7-13-35-20)28-24(30)21(36-26(28)27-16)14-18-10-5-6-11-19(18)29(32)33/h2-14,23H,15H2,1H3/b21-14+InChIKey
BTPQWZKJHNFIPA-KGENOOAVSA-NSynonyms
(O)(N+)(=O)c1ccccc1C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
benzyl(2E)7methyl2((2nitrophenyl)methylidene)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)7methyl2(2nitrobenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3(N+)(=O)(O))SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC26H19N3O5S2c11622(25(31)3415178324917)23(20127133520)2824(30)21(3626(28)2716)141810561119(18)29(32)33h21423H15H21H3b2114+
MFCD03418047
PHENYLMETHYL7METHYL2((2NITROPHENYL)METHYLENE)3OXO5(2THIENYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000016700621
ZINC000016700624
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