Vitas-M small molecule compound

5-(3,4-dihydroxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one

Catalog ID
STK835189
SMILES O=C1CCCC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)O)O

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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 C23H19NO3 MW 357.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19NO3/c25-18-11-9-14(12-20(18)27)23-22-16(6-3-7-19(22)26)21-15-5-2-1-4-13(15)8-10-17(21)24-23/h1-2,4-5,8-12,23-25,27H,3,6-7H2
InChIKey
YKQAJGSSHLQDEZ-UHFFFAOYSA-N
Synonyms

5(34dihydroxyphenyl)2356tetrahydro1Hbenzo(a)phenanthridin4one
5(34dihydroxyphenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)O)O)C(=O)C1
InChI=1SC23H19NO3c251811914(1220(18)27)232216(63719(22)26)2115521413(15)81017(21)2423h1245812232527H367H2
MFCD00362164
ZINC000001030072
ZINC000003050449

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.