Vitas-M small molecule compound
4-[(E)-(1-benzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Catalog ID
STK398409
SMILES COc1cc(ccc1OC(=O)c1cccs1)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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/c1-31-19-13-16(9-10-18(19)32-23(29)20-8-5-11-33-20)12-17-21(27)25-24(30)26(22(17)28)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,25,27,30)/b17-12+InChIKey
WBKAHUJAORHSMD-SFQUDFHCSA-NSynonyms
(4((E)(1BENZYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)THIOPHENE2CARBOXYLATE
4((E)(1BENZYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENYLTHIOPHENE2CARBOXYLATE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3)OC(=O)C4=CC=CS4
COc1cc(ccc1OC(=O)c1cccs1)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChI=1SC24H18N2O6Sc131191316(91018(19)3223(29)2085113320)121721(27)2524(30)26(22(17)28)14156324715h213H14H21H3(H252730)b1712+
MFCD03711751
ZINC000016193668
ZINC16193668
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