Vitas-M small molecule compound
4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid
Catalog ID
STL417466
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1CCC2C=C1
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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 C22H18N2O5 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5/c25-20-18-13-3-4-14(6-5-13)19(18)21(26)24(20)23-11-16-9-10-17(29-16)12-1-7-15(8-2-12)22(27)28/h1-4,7-11,13-14,18-19H,5-6H2,(H,27,28)/b23-11+InChIKey
RTWHMHDTOXWSFN-FOKLQQMPSA-NSynonyms
4(5((E)((13dioxo133a477ahexahydro2H47ethanoisoindol2yl)imino)methyl)furan2yl)benzoicacid
C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)O
InChI=1SC22H18N2O5c252018133414(6513)19(18)21(26)24(20)23111691017(2916)121715(8212)22(27)28h1471113141819H56H2(H2728)b2311+
MFCD01053533
OC(=O)c1ccc(cc1)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
ZINC000100175697
ZINC000105210991
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