Vitas-M small molecule compound

5-(4-hydroxy-3-methoxybenzylidene)-1,3-bis(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL484659
SMILES COc1cc(ccc1O)/C=C/1\C(=O)N(c2ccc(cc2)C)C(=S)N(C1=O)c1ccc(cc1)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 C26H22N2O4S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4S/c1-16-4-9-19(10-5-16)27-24(30)21(14-18-8-13-22(29)23(15-18)32-3)25(31)28(26(27)33)20-11-6-17(2)7-12-20/h4-15,29H,1-3H3
InChIKey
VFGAMFFHDCEDNU-UHFFFAOYSA-N
Synonyms
5732-95-6
5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)13BIS(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5(4hydroxy3methoxybenzylidene)13bis(4methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
5732956
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=O)N(C2=S)C4=CC=C(C=C4)C
COc1cc(ccc1O)C=C1C(=O)N(c2ccc(cc2)C)C(=S)N(C1=O)c1ccc(cc1)C
InChI=1SC26H22N2O4Sc1164919(10516)2724(30)21(141881322(29)23(1518)323)25(31)28(26(27)33)2011617(2)71220h41529H13H3
MFCD01442548
ZINC000001205932
ZINC01205932
ZINC1205932

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Available files

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