Vitas-M small molecule compound
4-({3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Catalog ID
STK111346
SMILES N#Cc1ccc(cc1)Cn1cc(c2c1cccc2)C=C1C(=O)N(C)C(=S)N(C1=O)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 C23H18N4O2S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O2S/c1-25-21(28)19(22(29)26(2)23(25)30)11-17-14-27(20-6-4-3-5-18(17)20)13-16-9-7-15(12-24)8-10-16/h3-11,14H,13H2,1-2H3InChIKey
PLQOLKNSKJADCB-UHFFFAOYSA-NSynonyms
4((3((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
4((3((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N)C(=O)N(C1=S)C
InChI=1SC23H18N4O2Sc12521(28)19(22(29)26(2)23(25)30)11171427(20643518(17)20)13169715(1224)81016h31114H13H212H3
MFCD03928655
ZINC000004675269
ZINC04675269
ZINC4675269
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