Vitas-M small molecule compound
5-(3-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK794787
SMILES CCOc1cc(ccc1O)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
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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 C27H27NO3 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO3/c1-4-31-23-13-17(10-12-21(23)29)26-25-19(14-27(2,3)15-22(25)30)24-18-8-6-5-7-16(18)9-11-20(24)28-26/h5-13,26,28-29H,4,14-15H2,1-3H3InChIKey
LGDZYLLNUHZLKZ-UHFFFAOYSA-NSynonyms
5(3ethoxy4hydroxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(3ethoxy4hydroxyphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)O
InChI=1SC27H27NO3c1431231317(101221(23)29)262519(1427(23)1522(25)30)2418865716(18)91120(24)2826h513262829H41415H213H3
MFCD00701201
ZINC000000756564
ZINC000000756565
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