Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK802516
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)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 C24H22N2O6S2 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O6S2/c1-5-31-23(29)20-13(2)25-24-26(22(28)19(34-24)12-16-7-6-10-33-16)21(20)15-8-9-17(32-14(3)27)18(11-15)30-4/h6-12,21H,5H2,1-4H3/b19-12+InChIKey
WJIVFVWCNODZEQ-XDHOZWIPSA-NSynonyms
(E)ethyl5(4acetoxy3methoxyphenyl)7methyl3oxo2(thiophen2ylmethylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cccs1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC=CS4)S2)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2(thiophen2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO2(THIOPHEN2YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H22N2O6S2c153123(29)2013(2)252426(22(28)19(3424)121676103316)21(20)158917(3214(3)27)18(1115)304h61221H5H214H3b1912+
MFCD01162895
ZINC000009327391
ZINC000009327392
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