Vitas-M small molecule compound
3-[(4-{(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK187911
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)OCc2cccc(c2)C(=O)O)/C1=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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-2-34-22-8-4-7-20(15-22)29-25(31)23(24(30)28-27(29)36)14-17-9-11-21(12-10-17)35-16-18-5-3-6-19(13-18)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,36)/b23-14-InChIKey
VOPHPYLWKDKRJJ-UCQKPKSFSA-NSynonyms
(Z)3((4((1(3ethoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
3((4((Z)(1(3ETHOXYPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((Z)(1(3ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((Z)(1(3ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC27H22N2O6Sc12342284720(1522)2925(31)23(24(30)2827(29)36)141791121(121017)35161853619(1318)26(32)33h315H216H21H3(H3233)(H283036)b2314
MFCD02628810
ZINC4473901
Check stock
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Check stock on Vitas-MAvailable files
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