Vitas-M small molecule compound
3-(5-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK613147
SMILES Clc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(=O)O)/C1=O)S
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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 C22H13ClN2O5S MW 452.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN2O5S/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)31)11-16-8-9-18(30-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b17-11+InChIKey
DVUYRHITJLAVJP-GZTJUZNOSA-NSynonyms
3(5((E)(1(4chlorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
3(5((E)(1(4CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O)S
InChI=1SC22H13ClN2O5Sc23144615(7514)2520(27)17(19(26)2422(25)31)11168918(3016)1221313(1012)21(28)29h111H(H2829)(H242631)b1711+
MFCD08734409
ZINC000008768910
ZINC8768910
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