Vitas-M small molecule compound
3-[(5E)-5-[4-(carboxymethoxy)-3-ethoxy-5-(prop-2-en-1-yl)benzylidene]-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK192474
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2)C(=O)O)cc(c1OCC(=O)O)CC=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 C25H22N2O8S MW 510.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O8S/c1-3-6-15-9-14(11-19(34-4-2)21(15)35-13-20(28)29)10-18-22(30)26-25(36)27(23(18)31)17-8-5-7-16(12-17)24(32)33/h3,5,7-12H,1,4,6,13H2,2H3,(H,28,29)(H,32,33)(H,26,30,36)/b18-10+InChIKey
DKUKZQCYTNFTAJ-VCHYOVAHSA-NSynonyms
3((5E)5((4(carboxymethoxy)3ethoxy5prop2enylphenyl)methylidene)46dioxo2sulfanylidene13diazinan1yl)benzoicacid
3((5E)5((4(CARBOXYMETHYLOXY)3ETHOXY5PROP2ENYLPHENYL)METHYLIDENE)46DIOXO2SULFANYLIDENE13DIAZINAN1YL)BENZOICACID
3((5E)5(4(CARBOXYMETHOXY)3ETHOXY5(PROP2EN1YL)BENZYLIDENE)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
CCOC1=CC(=CC(=C1OCC(=O)O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(c2)C(=O)O)cc(c1OCC(=O)O)CC=C
InChI=1SC25H22N2O8Sc13615914(1119(3442)21(15)351320(28)29)101822(30)2625(36)27(23(18)31)1785716(1217)24(32)33h35712H14613H22H3(H2829)(H3233)(H263036)b1810+
MFCD06665537
ZINC000009933356
ZINC9933356
Check stock
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Check stock on Vitas-MAvailable files
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