Vitas-M small molecule compound
4-(3-{(E)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK325869
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1cc(n(c1C)c1ccc(cc1)C(=O)O)C)/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 C30H26ClN3O5S MW 576.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O5S/c1-5-39-29(38)25-17(3)32-30-34(26(25)19-6-10-22(31)11-7-19)27(35)24(40-30)15-21-14-16(2)33(18(21)4)23-12-8-20(9-13-23)28(36)37/h6-15,26H,5H2,1-4H3,(H,36,37)/b24-15+InChIKey
CCSFPGWRUILSOS-BUVRLJJBSA-NSynonyms
4(3((E)(5(4chlorophenyl)6(ethoxycarbonyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
4(3((E)(5(4chlorophenyl)6ethoxycarbonyl7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)C(=O)O)C)S2)C
InChI=1SC30H26ClN3O5Sc153929(38)2517(3)323034(26(25)1961022(31)11719)27(35)24(4030)15211416(2)33(18(21)4)2312820(91323)28(36)37h61526H5H214H3(H3637)b2415+
MFCD05149843
ZINC000097962542
ZINC000097962543
Check stock
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Check stock on Vitas-MAvailable files
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