Vitas-M small molecule compound
(5E)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(2-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL380297
SMILES CC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1Cl
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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 C23H15ClN2O4S MW 450.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O4S/c1-13(27)14-6-8-15(9-7-14)20-11-10-16(30-20)12-17-21(28)25-23(31)26(22(17)29)19-5-3-2-4-18(19)24/h2-12H,1H3,(H,25,28,31)/b17-12+InChIKey
YSNOEZYZGUQINB-SFQUDFHCSA-NSynonyms
(5E)5((5(4acetylphenyl)furan2yl)methylidene)1(2chlorophenyl)2sulfanylidene13diazinane46dione
(5E)5((5(4acetylphenyl)furan2yl)methylidene)1(2chlorophenyl)2thioxodihydropyrimidine46(1H5H)dione
CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl
CC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1Cl
InChI=1SC23H15ClN2O4Sc113(27)146815(9714)20111016(3020)121721(28)2523(31)26(22(17)29)19532418(19)24h212H1H3(H252831)b1712+
MFCD06615191
ZINC000096190223
ZINC96190223
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