Vitas-M small molecule compound

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

Catalog ID
STK374591
SMILES CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3)[N+](=O)[O-]

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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 C37H44N4O3 MW 592.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O3/c1-23-11-15-39(16-12-23)30-20-31(40-17-13-24(2)14-18-40)32(41(43)44)19-27(30)36-35-28(21-37(3,4)22-33(35)42)34-26-8-6-5-7-25(26)9-10-29(34)38-36/h5-10,19-20,23-24,36,38H,11-18,21-22H2,1-4H3
InChIKey
KSLLVFDDRQPCIK-UHFFFAOYSA-N
Synonyms

5(24bis(4methylpiperidin1yl)5nitrophenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(24bis(4methylpiperidin1yl)5nitrophenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3)(N+)(=O)(O)
CC1CCN(CC1)C2=CC(=C(C=C2C3C4=C(CC(CC4=O)(C)C)C5=C(N3)C=CC6=CC=CC=C65)(N+)(=O)(O))N7CCC(CC7)C
InChI=1SC37H44N4O3c123111539(161223)302031(40171324(2)141840)32(41(43)44)1927(30)363528(2137(34)2233(35)42)3426865725(26)91029(34)3836h510192023243638H11182122H214H3
MFCD01051828
ZINC000004044962
ZINC000004044966

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Available files

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