Vitas-M small molecule compound
4-chloro-3-(5-{(E)-[6-(ethoxycarbonyl)-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK325870
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C\c1ccc(o1)c1cc(ccc1Cl)C(=O)O)/s2)c1ccccc1
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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 C34H25ClN2O6S2 MW 657.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25ClN2O6S2/c1-3-42-33(41)28-29(19-7-5-4-6-8-19)36-34-37(30(28)20-9-13-23(44-2)14-10-20)31(38)27(45-34)18-22-12-16-26(43-22)24-17-21(32(39)40)11-15-25(24)35/h4-18,30H,3H2,1-2H3,(H,39,40)/b27-18+InChIKey
NMASNDUTSFKQJV-OVVQPSECSA-NSynonyms
4chloro3(5((E)(6(ethoxycarbonyl)5(4(methylsulfanyl)phenyl)3oxo7phenyl5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
4chloro3(5((E)(6ethoxycarbonyl5(4methylsulfanylphenyl)3oxo7phenyl5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)C(=O)O)Cl)S2)C6=CC=CC=C6
InChI=1SC34H25ClN2O6S2c134233(41)2829(197546819)363437(30(28)2091323(442)141020)31(38)27(4534)1822121626(4322)241721(32(39)40)111525(24)35h41830H3H212H3(H3940)b2718+
MFCD05149810
ZINC000097962544
ZINC000097962545
Check stock
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Check stock on Vitas-MAvailable files
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