Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)benzylidene]-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187969
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)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 C26H22N2O4S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4S/c1-2-31-22-10-6-9-20(16-22)28-25(30)23(24(29)27-26(28)33)15-18-11-13-21(14-12-18)32-17-19-7-4-3-5-8-19/h3-16H,2,17H2,1H3,(H,27,29,33)/b23-15-InChIKey
BLNPHVRFWYOOOQ-HAHDFKILSA-NSynonyms
(5Z)1(3ETHOXYPHENYL)5((4PHENYLMETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4(BENZYLOXY)BENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)OCc2ccccc2)C1=O
InChI=1SC26H22N2O4Sc123122106920(1622)2825(30)23(24(29)2726(28)33)1518111321(141218)3217197435819h316H217H21H3(H272933)b2315
MFCD02629325
ZINC000009907600
ZINC09907600
ZINC9907600
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