Vitas-M small molecule compound
ethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484921
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cccs1)/s2
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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 C23H22N2O4S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S2/c1-4-28-16-10-8-15(9-11-16)20-19(22(27)29-5-2)14(3)24-23-25(20)21(26)18(31-23)13-17-7-6-12-30-17/h6-13,20H,4-5H2,1-3H3/b18-13-InChIKey
KBTKERCOHHKHDR-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cccs1)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CS4)S3)C)C(=O)OCC
ethyl(2Z)5(4ethoxyphenyl)7methyl3oxo2(thiophen2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ETHOXYPHENYL)7METHYL3OXO2(THIOPHEN2YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H22N2O4S2c14281610815(91116)2019(22(27)2952)14(3)242325(20)21(26)18(3123)131776123017h61320H45H213H3b1813
MFCD02212655
ZINC000001201418
ZINC000001201420
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