Vitas-M small molecule compound
(5Z)-5-[3-(benzyloxy)benzylidene]-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197519
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cccc(c2)OCc2ccccc2)/C1=O
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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 C25H20N2O4S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4S/c1-30-20-12-10-19(11-13-20)27-24(29)22(23(28)26-25(27)32)15-18-8-5-9-21(14-18)31-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,26,28,32)/b22-15-InChIKey
SRMFCIVXWYBWMY-JCMHNJIXSA-NSynonyms
(5Z)1(4METHOXYPHENYL)5((3PHENYLMETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3(BENZYLOXY)BENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccc(c2)OCc2ccccc2)C1=O
InChI=1SC25H20N2O4Sc13020121019(111320)2724(29)22(23(28)2625(27)32)151885921(1418)3116176324717h215H16H21H3(H262832)b2215
MFCD02623704
ZINC000006645273
ZINC06645273
ZINC6645273
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