Vitas-M small molecule compound
benzyl (2E)-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798987
SMILES CCOc1ccc(cc1)/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 C28H24N2O4S2 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O4S2/c1-3-33-21-13-11-19(12-14-21)16-23-26(31)30-25(22-10-7-15-35-22)24(18(2)29-28(30)36-23)27(32)34-17-20-8-5-4-6-9-20/h4-16,25H,3,17H2,1-2H3/b23-16+InChIKey
RZDIZPSCGBCWBP-XQNSMLJCSA-NSynonyms
BENZYL(2E)2((4ETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2E)2(4ethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC4=CC=CC=C4)C5=CC=CS5
CCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC28H24N2O4S2c133321131119(121421)162326(31)3025(22107153522)24(18(2)2928(30)3623)27(32)3417208546920h41625H317H212H3b2316+
MFCD03417965
ZINC000016700611
ZINC000016700614
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