Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-2-thioxo-5-(2,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190233
SMILES COc1cc(OC)c(cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C)OC
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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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c1-12-6-13(2)8-15(7-12)24-21(26)16(20(25)23-22(24)30)9-14-10-18(28-4)19(29-5)11-17(14)27-3/h6-11H,1-5H3,(H,23,25,30)/b16-9+InChIKey
YQSGGMFIXOWMTI-CXUHLZMHSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)2SULFANYLIDENE5((245TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE46DIONE
(5E)1(35DIMETHYLPHENYL)2THIOXO5(245TRIMETHOXYBENZYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3OC)OC)OC)C(=O)NC2=S)C
COc1cc(OC)c(cc1C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C)OC
InChI=1SC22H22N2O5Sc112613(2)815(712)2421(26)16(20(25)2322(24)30)9141018(284)19(295)1117(14)273h611H15H3(H232530)b169+
MFCD03714802
ZINC000001146571
ZINC01146571
ZINC1146571
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