Vitas-M small molecule compound
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Catalog ID
STL368355
SMILES O=Cc1cc(n(c1C)c1ccc2c(c1)OCCCO2)C
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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 C16H17NO3 MW 271.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3/c1-11-8-13(10-18)12(2)17(11)14-4-5-15-16(9-14)20-7-3-6-19-15/h4-5,8-10H,3,6-7H2,1-2H3InChIKey
LTOGOQFMGBNPEP-UHFFFAOYSA-NSynonyms
878427-46-41(2H3H4HBENZO(B)14DIOXEPIN7YL)25DIMETHYLPYRROLE3CARBALDEHYDE
1(34dihydro2H15benzodioxepin7yl)25dimethyl1Hpyrrole3carbaldehyde
1(34DIHYDRO2H15BENZODIOXEPIN7YL)25DIMETHYLPYRROLE3CARBALDEHYDE
1(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)25DIMETHYL1HPYRROLE3CARBALDEHYDE
878427464
CC1=CC(=C(N1C2=CC3=C(C=C2)OCCCO3)C)C=O
InChI=1SC16H17NO3c111813(1018)12(2)17(11)14451516(914)207361915h45810H367H212H3
MFCD06753254
ZINC000004414457
ZINC04414457
ZINC4414457
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