Vitas-M small molecule compound
2-(benzyloxy)-5-[(Z)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzoic acid
Catalog ID
STL495703
SMILES OC(=O)c1cc(ccc1OCc1ccccc1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C25H18N2O5S MW 458.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O5S/c28-22-20(23(29)27(25(33)26-22)18-9-5-2-6-10-18)14-17-11-12-21(19(13-17)24(30)31)32-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,30,31)(H,26,28,33)/b20-14-InChIKey
IQRUHTBIEWHPTI-ZHZULCJRSA-NSynonyms
2(benzyloxy)5((Z)(46dioxo1phenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
5((Z)(46DIOXO1PHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2PHENYLMETHOXYBENZOICACID
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)C(=O)O
InChI=1SC25H18N2O5Sc282220(23(29)27(25(33)2622)1895261018)1417111221(19(1317)24(30)31)3215167314816h114H15H2(H3031)(H262833)b2014
MFCD03078865
OC(=O)c1cc(ccc1OCc1ccccc1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
ZINC000002121798
ZINC2121798
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