Vitas-M small molecule compound
methyl 4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STL387727
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
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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 C24H20N2O5 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O5/c1-30-23(29)14-4-2-13(3-5-14)18-9-6-15(31-18)12-25-26-21(27)19-16-7-8-17(20(19)22(26)28)24(16)10-11-24/h2-9,12,16-17,19-20H,10-11H2,1H3/b25-12+InChIKey
HDUZTSGWMQHIQQ-BRJLIKDPSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C56CC6
COC(=O)c1ccc(cc1)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
InChI=1SC24H20N2O5c13023(29)144213(3514)189615(3118)12252621(27)19167817(20(19)22(26)28)24(16)101124h291216171920H1011H21H3b2512+
methyl4(5((E)((13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)imino)methyl)furan2yl)benzoate
MFCD01053496
ZINC000101084296
ZINC000101084301
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