Vitas-M small molecule compound
benzyl (2Z)-2-(3-methoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798944
SMILES COc1cccc(c1)/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 C27H22N2O4S2 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S2/c1-17-23(26(31)33-16-18-8-4-3-5-9-18)24(21-12-7-13-34-21)29-25(30)22(35-27(29)28-17)15-19-10-6-11-20(14-19)32-2/h3-15,24H,16H2,1-2H3/b22-15-InChIKey
VREGDCUOSKTTCL-JCMHNJIXSA-NSynonyms
BENZYL(2Z)2((3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2Z)2(3methoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
COc1cccc(c1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC27H22N2O4S2c11723(26(31)3316188435918)24(21127133421)2925(30)22(3527(29)2817)15191061120(1419)322h31524H16H212H3b2215
MFCD03213211
ZINC000002671609
ZINC000002671611
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