Vitas-M small molecule compound
(5E)-1-(2,5-dimethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK113248
SMILES COc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-11-4-5-12(2)15(6-11)23-20(25)14(19(24)22-21(23)29)7-13-8-17-18(28-10-27-17)9-16(13)26-3/h4-9H,10H2,1-3H3,(H,22,24,29)/b14-7+InChIKey
PHOAIGYQPSUYQA-VGOFMYFVSA-NSynonyms
(5E)1(25DIMETHYLPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(25DIMETHYLPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=O)NC2=S
COc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
InChI=1SC21H18N2O5Sc1114512(2)15(611)2320(25)14(19(24)2221(23)29)71381718(28102717)916(13)263h49H10H213H3(H222429)b147+
MFCD05625591
ZINC000004690021
ZINC04690021
ZINC4690021
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