Vitas-M small molecule compound
5-(4-tert-butylphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK795414
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(cc1)C(C)(C)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 C29H31NO MW 409.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO/c1-28(2,3)20-13-10-19(11-14-20)27-26-22(16-29(4,5)17-24(26)31)25-21-9-7-6-8-18(21)12-15-23(25)30-27/h6-15,27,30H,16-17H2,1-5H3InChIKey
QYQPIQQPMVFXGY-UHFFFAOYSA-NSynonyms
5(4tertbutylphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(4tertbutylphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(C)(C)C)C(=O)C1)C
InChI=1SC29H31NOc128(23)20131019(111420)272622(1629(45)1724(26)31)2521976818(21)121523(25)3027h6152730H1617H215H3
MFCD00749080
ZINC000002892536
ZINC000002892537
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