Vitas-M small molecule compound
3-(5-{(E)-[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Catalog ID
STL506626
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C\c1ccc(o1)c1cccc(c1C)C(=O)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 C29H23FN2O6S MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O6S/c1-4-37-28(36)24-16(3)31-29-32(25(24)17-8-10-18(30)11-9-17)26(33)23(39-29)14-19-12-13-22(38-19)20-6-5-7-21(15(20)2)27(34)35/h5-14,25H,4H2,1-3H3,(H,34,35)/b23-14+InChIKey
IPIXSVYGKLJABW-OEAKJJBVSA-NSynonyms
21169367
3(5((~(E))(6ethoxycarbonyl5(4fluorophenyl)7methyl3oxo5~(H)(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)2methylbenzoicacid
3(5((6(ETHOXYCARBONYL)5(4FLUOROPHENYL)7METHYL3OXO(45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN2YLIDENE))METHYL)(2FURYL))2METHYLBENZOICACID
3(5((E)(6(ethoxycarbonyl)5(4fluorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)2methylbenzoicacid
InChI=1SC29H23FN2O6Sc143728(36)2416(3)312932(25(24)1781018(30)11917)26(33)23(3929)1419121322(3819)2065721(15(20)2)27(34)35h51425H4H213H3(H3435)b2314+
MFCD02632100
ZINC000100218899
ZINC000100218904
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