Vitas-M small molecule compound
4-{(Z)-[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Catalog ID
STL504969
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1ccc(cc1)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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-5-34-26(33)22-16(4)28-27-29(23(22)19-12-10-18(11-13-19)15(2)3)24(30)21(35-27)14-17-6-8-20(9-7-17)25(31)32/h6-15,23H,5H2,1-4H3,(H,31,32)/b21-14-InChIKey
OTMULPYJGARLGK-STZFKDTASA-NSynonyms
4((~(Z))(6ethoxycarbonyl7methyl3oxo5(4propan2ylphenyl)5~(H)(13)thiazolo(32a)pyrimidin2ylidene)methyl)benzoicacid
4((Z)(6(ethoxycarbonyl)7methyl3oxo5(4(propan2yl)phenyl)5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)benzoicacid
4((Z)(6ETHOXYCARBONYL7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)BENZOICACID
6296290
InChI=1SC27H26N2O5Sc153426(33)2216(4)282729(23(22)19121018(111319)15(2)3)24(30)21(3527)14176820(9717)25(31)32h61523H5H214H3(H3132)b2114
MFCD04083577
ZINC000002120807
ZINC000002120811
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