Vitas-M small molecule compound
methyl (2E)-7-methyl-3-oxo-2-(4-propoxybenzylidene)-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797806
SMILES CCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)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 C23H22N2O4S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S2/c1-4-11-29-16-9-7-15(8-10-16)13-18-21(26)25-20(17-6-5-12-30-17)19(22(27)28-3)14(2)24-23(25)31-18/h5-10,12-13,20H,4,11H2,1-3H3/b18-13+InChIKey
WKRKYXUBPCAMGI-QGOAFFKASA-NSynonyms
CCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=CS4
CCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C
InChI=1SC23H22N2O4S2c141129169715(81016)131821(26)2520(1765123017)19(22(27)283)14(2)2423(25)3118h510121320H411H213H3b1813+
METHYL(2E)7METHYL3OXO2((4PROPOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)7methyl3oxo2(4propoxybenzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417173
ZINC000016699916
ZINC000016699918
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