Vitas-M small molecule compound
methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK822294
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C\c1ccc3c(c1)OCO3)/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 C24H20N2O5S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O5S/c1-13-4-7-16(8-5-13)21-20(23(28)29-3)14(2)25-24-26(21)22(27)19(32-24)11-15-6-9-17-18(10-15)31-12-30-17/h4-11,21H,12H2,1-3H3/b19-11+InChIKey
PLIWXMXWUGNHBS-YBFXNURJSA-NSynonyms
CC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC5=C(C=C4)OCO5)S3)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
InChI=1SC24H20N2O5Sc1134716(8513)2120(23(28)293)14(2)252426(21)22(27)19(3224)1115691718(1015)31123017h41121H12H213H3b1911+
methyl(2E)2(13benzodioxol5ylmethylidene)7methyl5(4methylphenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(13benzodioxol5ylmethylidene)7methyl5(4methylphenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03088850
ZINC000027016050
ZINC000027016057
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