Vitas-M small molecule compound

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

Catalog ID
STK761557
SMILES COc1ccc(c(c1OC)OC)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)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 C28H29NO4 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4/c1-28(2)14-19-23-17-9-7-6-8-16(17)10-12-20(23)29-25(24(19)21(30)15-28)18-11-13-22(31-3)27(33-5)26(18)32-4/h6-13,25,29H,14-15H2,1-5H3
InChIKey
UOVHWDQSTBWHMY-UHFFFAOYSA-N
Synonyms

22dimethyl5(234trimethoxyphenyl)1356tetrahydrobenzo(a)phenanthridin4one
22dimethyl5(234trimethoxyphenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C(=C(C=C5)OC)OC)OC)C(=O)C1)C
InChI=1SC28H29NO4c128(2)14192317976816(17)101220(23)2925(24(19)21(30)1528)18111322(313)27(335)26(18)324h6132529H1415H215H3
MFCD01925971
ZINC000000708740
ZINC000000708741

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.