Vitas-M small molecule compound
5-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Catalog ID
STK754695
SMILES CCOc1cc(ccc1O)C1Nc2ccc3c(c2C2=C1CC(C)(C)CC2=O)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)26-19-14-27(2,3)15-22(30)25(19)24-18-8-6-5-7-16(18)9-11-20(24)28-26/h5-13,26,28-29H,4,14-15H2,1-3H3InChIKey
ITFDNEWZNXYIKG-UHFFFAOYSA-NSynonyms
5(3ethoxy4hydroxyphenyl)33dimethyl2456tetrahydrobenzo(a)phenanthridin1one
5(3ethoxy4hydroxyphenyl)33dimethyl3456tetrahydrobenzo(a)phenanthridin1(2H)one
CCOC1=C(C=CC(=C1)C2C3=C(C(=O)CC(C3)(C)C)C4=C(N2)C=CC5=CC=CC=C54)O
InChI=1SC27H27NO3c1431231317(101221(23)29)26191427(23)1522(30)25(19)2418865716(18)91120(24)2826h513262829H41415H213H3
MFCD00501886
ZINC000000675443
ZINC000000675445
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