Vitas-M small molecule compound
4-[(2-{(E)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK106440
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccccc1OCc1ccc(cc1)C(=O)O)c1cccc(c1C)C
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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 C27H22N2O5S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S/c1-16-6-5-8-22(17(16)2)29-25(31)21(24(30)28-27(29)35)14-20-7-3-4-9-23(20)34-15-18-10-12-19(13-11-18)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,35)/b21-14+InChIKey
YWZDYDFKHYTUQC-KGENOOAVSA-NSynonyms
4((2((E)(1(23DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((E)(1(23DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=S)C
InChI=1SC27H22N2O5Sc11665822(17(16)2)2925(31)21(24(30)2827(29)35)1420734923(20)341518101219(131118)26(32)33h314H15H212H3(H3233)(H283035)b2114+
MFCD03240558
O=C1NC(=S)N(C(=O)C1=Cc1ccccc1OCc1ccc(cc1)C(=O)O)c1cccc(c1C)C
ZINC000012465496
ZINC12465496
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