Vitas-M small molecule compound
2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 2,4-dichlorobenzoate
Catalog ID
STK681816
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)C1Nc2ccc3c(c2C2=C1C(=O)CCC2)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 C31H23Cl2NO4 MW 544.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23Cl2NO4/c1-37-27-15-18(10-14-26(27)38-31(36)21-12-11-19(32)16-23(21)33)30-29-22(7-4-8-25(29)35)28-20-6-3-2-5-17(20)9-13-24(28)34-30/h2-3,5-6,9-16,30,34H,4,7-8H2,1H3InChIKey
SHXKXVFZDUHJRM-UHFFFAOYSA-NSynonyms
(2methoxy4(4oxo2356tetrahydro1Hbenzo(a)phenanthridin5yl)phenyl)24dichlorobenzoate
2methoxy4(4oxo123456hexahydrobenzo(a)phenanthridin5yl)phenyl24dichlorobenzoate
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C6=C(C=C(C=C6)Cl)Cl
InChI=1SC31H23Cl2NO4c137271518(101426(27)3831(36)21121119(32)1623(21)33)302922(74825(29)35)2820632517(20)91324(28)3430h23569163034H478H21H3
MFCD03820156
ZINC000098005257
ZINC000098005258
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