Vitas-M small molecule compound
4-(5-{(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK602172
SMILES CCOc1cccc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)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 C24H18N2O6S MW 462.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O6S/c1-2-31-17-5-3-4-16(12-17)26-22(28)19(21(27)25-24(26)33)13-18-10-11-20(32-18)14-6-8-15(9-7-14)23(29)30/h3-13H,2H2,1H3,(H,29,30)(H,25,27,33)/b19-13-InChIKey
QHVKBXQRVGAICY-UYRXBGFRSA-NSynonyms
4(5((Z)(1(3ethoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(1(3ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S
CCOc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O)S
InChI=1SC24H18N2O6Sc12311753416(1217)2622(28)19(21(27)2524(26)33)1318101120(3218)146815(9714)23(29)30h313H2H21H3(H2930)(H252733)b1913
MFCD08733954
ZINC000009066441
ZINC9066441
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