Vitas-M small molecule compound
ethyl (2E)-2-(3-ethoxy-4-hydroxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407049
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(c(c1)OCC)O)/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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-5-33-20-13-16(7-12-19(20)29)14-21-24(30)28-23(17-8-10-18(32-4)11-9-17)22(25(31)34-6-2)15(3)27-26(28)35-21/h7-14,23,29H,5-6H2,1-4H3/b21-14+InChIKey
ZBULZXVTSFGGNS-KGENOOAVSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(c(c1)OCC)O)s2
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC)O
ETHYL(2E)2((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(3ethoxy4hydroxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H26N2O6Sc1533201316(71219(20)29)142124(30)2823(1781018(324)11917)22(25(31)3462)15(3)2726(28)3521h7142329H56H214H3b2114+
MFCD04083312
ZINC000001197298
ZINC000002917505
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