Vitas-M small molecule compound

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

Catalog ID
STK087512
SMILES O=C1CC(C)(C)CC2=C1c1c(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 C26H23NO3 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO3/c1-26(2)12-18-24(20(28)13-26)23-17-6-4-3-5-15(17)7-9-19(23)27-25(18)16-8-10-21-22(11-16)30-14-29-21/h3-11,25,27H,12-14H2,1-2H3
InChIKey
LHXPQLNFYQHLEE-UHFFFAOYSA-N
Synonyms
333344-49-3
333344493
5(13benzodioxol5yl)33dimethyl2456tetrahydrobenzo(a)phenanthridin1one
5(13benzodioxol5yl)33dimethyl3456tetrahydrobenzo(a)phenanthridin1(2H)one
5(benzo(d)(13)dioxol5yl)33dimethyl3456tetrahydrobenzo(a)phenanthridin1(2H)one
CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC6=C(C=C5)OCO6)C
InChI=1SC26H23NO3c126(2)121824(20(28)1326)2317643515(17)7919(23)2725(18)168102122(1116)30142921h3112527H1214H212H3
MFCD01162580
O=C1CC(C)(C)CC2=C1c1c(NC2c2ccc3c(c2)OCO3)ccc2c1cccc2
STK087512
ZINC000000708552
ZINC000000708553

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Available files

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