Vitas-M small molecule compound
(5Z)-5-[3-(benzyloxy)-4-methoxybenzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188094
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2ccc(c(c2)OCc2ccccc2)OC)/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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-3-11-24-21(26)17(20(25)23-22(24)29)12-16-9-10-18(27-2)19(13-16)28-14-15-7-5-4-6-8-15/h3-10,12-13H,1,11,14H2,2H3,(H,23,25,29)/b17-12-InChIKey
BCBVDFOKOLQXBE-ATVHPVEESA-NSynonyms
(5Z)5((4METHOXY3PHENYLMETHOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3(BENZYLOXY)4METHOXYBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)OCc2ccccc2)OC)C1=O
COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=CC=C3
InChI=1SC22H20N2O4Sc13112421(26)17(20(25)2322(24)29)121691018(272)19(1316)2814157546815h3101213H11114H22H3(H232529)b1712
MFCD04577639
ZINC000004723871
ZINC04723871
ZINC4723871
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