Vitas-M small molecule compound
2-[(2-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK102303
SMILES N#Cc1ccccc1COc1ccccc1/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 C26H17N3O6 MW 467.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N3O6/c27-13-17-6-1-2-7-18(17)14-33-21-8-4-3-5-16(21)11-20-24(30)28-26(32)29(25(20)31)19-9-10-22-23(12-19)35-15-34-22/h1-12H,14-15H2,(H,28,30,32)/b20-11+InChIKey
JWRXQTXGAMFODQ-RGVLZGJSSA-NSynonyms
2((2((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=CC=C4OCC5=CC=CC=C5C#N)C(=O)NC3=O
InChI=1SC26H17N3O6c271317612718(17)143321843516(21)112024(30)2826(32)29(25(20)31)199102223(1219)35153422h112H1415H2(H283032)b2011+
MFCD03239865
N#Cc1ccccc1COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
ZINC000001097108
ZINC01097108
ZINC1097108
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