Vitas-M small molecule compound
ethyl (2Z)-2-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522632
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cc(I)c(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 C26H25IN2O6S MW 620.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25IN2O6S/c1-5-34-19-12-15(11-18(27)23(19)30)13-20-24(31)29-22(16-7-9-17(33-4)10-8-16)21(25(32)35-6-2)14(3)28-26(29)36-20/h7-13,22,30H,5-6H2,1-4H3/b20-13-InChIKey
ZFEPFRVKDRJZJU-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(I)c(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)I)O
ETHYL(2Z)2((3ETHOXY4HYDROXY5IODOPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3ethoxy4hydroxy5iodobenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H25IN2O6Sc1534191215(1118(27)23(19)30)132024(31)2922(167917(334)10816)21(25(32)3562)14(3)2826(29)3620h7132230H56H214H3b2013
MFCD01592619
ZINC000100618654
ZINC000100618659
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