Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK746621
SMILES CCCCOc1ccc(cc1)C1CC(=O)C2=C(C1)c1c(NC2c2ccc3c(c2)OCO3)ccc2c1cccc2
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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 C34H31NO4 MW 517.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31NO4/c1-2-3-16-37-25-12-8-21(9-13-25)24-17-27-32-26-7-5-4-6-22(26)10-14-28(32)35-34(33(27)29(36)18-24)23-11-15-30-31(19-23)39-20-38-30/h4-15,19,24,34-35H,2-3,16-18,20H2,1H3InChIKey
RFCLQVBUSCFZLL-UHFFFAOYSA-NSynonyms
5(13benzodioxol5yl)2(4butoxyphenyl)2356tetrahydro1Hbenzo(a)phenanthridin4one
5(13benzodioxol5yl)2(4butoxyphenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
5(benzo(d)(13)dioxol5yl)2(4butoxyphenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CCCCOC1=CC=C(C=C1)C2CC3=C(C(NC4=C3C5=CC=CC=C5C=C4)C6=CC7=C(C=C6)OCO7)C(=O)C2
InChI=1SC34H31NO4c12316372512821(91325)2417273226754622(26)101428(32)3534(33(27)29(36)1824)2311153031(1923)39203830h41519243435H23161820H21H3
MFCD00312995
ZINC000002026073
ZINC000002026088
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