Vitas-M small molecule compound
2-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 2-methoxybenzoate
Catalog ID
STL112212
SMILES COc1ccccc1C(=O)Oc1ccccc1/C=C\1/N=C2N(C1=O)CCCCC2
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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 C23H22N2O4 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4/c1-28-20-12-7-5-10-17(20)23(27)29-19-11-6-4-9-16(19)15-18-22(26)25-14-8-2-3-13-21(25)24-18/h4-7,9-12,15H,2-3,8,13-14H2,1H3/b18-15+InChIKey
GTHFOMXBRYEWTN-OBGWFSINSA-NSynonyms
(2((E)(3oxo6789tetrahydro5Himidazo(12a)azepin2ylidene)methyl)phenyl)2methoxybenzoate
2((3OXO5H6H7H8H9H13DIAZOLINO(12A)AZAPERHYDROEPIN2YLIDENE)METHYL)PHENYL2METHOXYBENZOATE
2((E)(3oxo6789tetrahydro3Himidazo(12a)azepin2(5H)ylidene)methyl)phenyl2methoxybenzoate
COC1=CC=CC=C1C(=O)OC2=CC=CC=C2C=C3C(=O)N4CCCCCC4=N3
COc1ccccc1C(=O)Oc1ccccc1C=C1N=C2N(C1=O)CCCCC2
InChI=1SC23H22N2O4c1282012751017(20)23(27)29191164916(19)151822(26)25148231321(25)2418h4791215H2381314H21H3b1815+
MFCD02660237
ZINC000001408909
ZINC01408909
ZINC1408909
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