Vitas-M small molecule compound
5-{3-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK107944
SMILES COc1cc(ccc1OCc1cccc(c1)C)C=C1C(=O)N(C)C(=S)N(C1=O)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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-14-6-5-7-16(10-14)13-28-18-9-8-15(12-19(18)27-4)11-17-20(25)23(2)22(29)24(3)21(17)26/h5-12H,13H2,1-4H3InChIKey
GVTOBQJPKSKJAC-UHFFFAOYSA-NSynonyms
5((3METHOXY4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(3METHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)N(C3=O)C)C)OC
InChI=1SC22H22N2O4Sc11465716(1014)1328189815(1219(18)274)111720(25)23(2)22(29)24(3)21(17)26h512H13H214H3
MFCD02779382
ZINC000004680294
ZINC04680294
ZINC4680294
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