Vitas-M small molecule compound
2-chloro-4-(5-{(Z)-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK612414
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O)O
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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 C23H15ClN2O7 MW 466.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O7/c1-32-14-5-3-13(4-6-14)26-21(28)17(20(27)25-23(26)31)11-15-7-9-19(33-15)12-2-8-16(22(29)30)18(24)10-12/h2-11H,1H3,(H,29,30)(H,25,27,31)/b17-11-InChIKey
ATIGYGFXQQREGY-BOPFTXTBSA-NSynonyms
2CHLORO4(5((Z)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro4(5((Z)(4hydroxy1(4methoxyphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
COc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C1=O)O
InChI=1SC23H15ClN2O7c132145313(4614)2621(28)17(20(27)2523(26)31)11157919(3315)122816(22(29)30)18(24)1012h211H1H3(H2930)(H252731)b1711
MFCD08737153
ZINC000017112980
ZINC17112980
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