Vitas-M small molecule compound
2-bromo-6-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)phenolate
Catalog ID
STL038904
SMILES COc1cc(cc(c1[O-])Br)C1[NH2+]c2ccc3c(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 C24H20BrNO3 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrNO3/c1-29-20-12-14(11-17(25)24(20)28)23-22-16(7-4-8-19(22)27)21-15-6-3-2-5-13(15)9-10-18(21)26-23/h2-3,5-6,9-12,23,26,28H,4,7-8H2,1H3InChIKey
YMTGNPCGBRKDCI-UHFFFAOYSA-NSynonyms
331674-67-02bromo6methoxy4(4oxo123456hexahydrobenzo(a)phenanthridinium5yl)phenolate
331674670
5(3bromo4hydroxy5methoxyphenyl)2356tetrahydro1Hbenzo(a)phenanthridin4one
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)Br)O
COc1cc(cc(c1(O))Br)C1(NH2+)c2ccc3c(c2C2=C1C(=O)CCC2)cccc3
InChI=1SC24H20BrNO3c129201214(1117(25)24(20)28)232216(74819(22)27)2115632513(15)91018(21)2623h2356912232628H478H21H3
MFCD00809832
ZINC000000828731
ZINC000000828732
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