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 benzoate
Catalog ID
STL112243
SMILES O=C(c1ccccc1)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 C22H20N2O3 MW 360.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3/c25-21-18(23-20-13-5-2-8-14-24(20)21)15-17-11-6-7-12-19(17)27-22(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2/b18-15+InChIKey
OXIFWHHTHCEFLF-OBGWFSINSA-NSynonyms
(2((E)(3oxo6789tetrahydro5Himidazo(12a)azepin2ylidene)methyl)phenyl)benzoate
2((3OXO5H6H7H8H9H13DIAZOLINO(12A)AZAPERHYDROEPIN2YLIDENE)METHYL)PHENYLBENZOATE
2((E)(3oxo6789tetrahydro3Himidazo(12a)azepin2(5H)ylidene)methyl)phenylbenzoate
C1CCC2=NC(=CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)C(=O)N2CC1
InChI=1SC22H20N2O3c252118(2320135281424(20)21)151711671219(17)2722(26)1693141016h1346791215H2581314H2b1815+
MFCD02660295
O=C(c1ccccc1)Oc1ccccc1C=C1N=C2N(C1=O)CCCCC2
ZINC000001408911
ZINC1408911
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