Vitas-M small molecule compound
2-[(3-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Catalog ID
STK169506
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C28H18N4O5 MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N4O5/c29-13-17-5-1-2-6-18(17)14-31-15-19(21-7-3-4-8-23(21)31)11-22-26(33)30-28(35)32(27(22)34)20-9-10-24-25(12-20)37-16-36-24/h1-12,15H,14,16H2,(H,30,33,35)/b22-11+InChIKey
MIICPPGHTATREA-SSDVNMTOSA-NSynonyms
2((3((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6C#N)C(=O)NC3=O
InChI=1SC28H18N4O5c291317512618(17)14311519(21734823(21)31)112226(33)3028(35)32(27(22)34)209102425(1220)37163624h11215H1416H2(H303335)b2211+
MFCD02773709
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
ZINC000009259788
ZINC09259788
ZINC9259788
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