Vitas-M small molecule compound
(5Z)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1-(3-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK109633
SMILES COc1cc2OCOc2cc1/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1)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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-11-4-3-5-13(6-11)22-19(24)14(18(23)21-20(22)28)7-12-8-16-17(27-10-26-16)9-15(12)25-2/h3-9H,10H2,1-2H3,(H,21,23,28)/b14-7-InChIKey
AJVXTWCIANLWRV-AUWJEWJLSA-NSynonyms
(5Z)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)1(3METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)1(3METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=O)NC2=S
COc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)C
InChI=1SC20H16N2O5Sc11143513(611)2219(24)14(18(23)2120(22)28)71281617(27102616)915(12)252h39H10H212H3(H212328)b147
MFCD03923252
ZINC000012467493
ZINC12467493
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