Vitas-M small molecule compound
3-(5-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Catalog ID
STK051816
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1C)C(=O)O)c1cccc(c1C)Cl
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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 C24H17ClN2O5S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O5S/c1-12-15(5-3-6-16(12)23(30)31)20-10-9-14(32-20)11-17-21(28)26-24(33)27(22(17)29)19-8-4-7-18(25)13(19)2/h3-11H,1-2H3,(H,30,31)(H,26,28,33)/b17-11+InChIKey
NMAYLTHNKAJSAM-GZTJUZNOSA-NSynonyms
3(5((E)(1(3CHLORO2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
3(5((E)(1(3CHLORO2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C
InChI=1SC24H17ClN2O5Sc11215(53616(12)23(30)31)2010914(3220)111721(28)2624(33)27(22(17)29)1984718(25)13(19)2h311H12H3(H3031)(H262833)b1711+
MFCD04126518
O=C1NC(=S)N(C(=O)C1=Cc1ccc(o1)c1cccc(c1C)C(=O)O)c1cccc(c1C)Cl
STK051816
ZINC000020130502
ZINC20130502
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