Vitas-M small molecule compound
2-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
Catalog ID
STK733838
SMILES COc1ccc(cc1Br)/C=N/n1c(=O)c2ccc3c4c2c(c1=O)ccc4CC3
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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 C22H15BrN2O3 MW 435.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrN2O3/c1-28-18-9-2-12(10-17(18)23)11-24-25-21(26)15-7-5-13-3-4-14-6-8-16(22(25)27)20(15)19(13)14/h2,5-11H,3-4H2,1H3/b24-11+InChIKey
JRERFUPTLZLBCI-BHGWPJFGSA-NSynonyms
2(((E)(3bromo4methoxyphenyl)methylidene)amino)67dihydro1Hindeno(671def)isoquinoline13(2H)dione
2((3BROMO4METHOXYBENZYLIDENE)AMINO)67DIHYDRO1HINDENO(671DEF)ISOQUINOLINE13(2H)DIONE
COC1=C(C=C(C=C1)C=NN2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O)Br
COc1ccc(cc1Br)C=Nn1c(=O)c2ccc3c4c2c(c1=O)ccc4CC3
InChI=1SC22H15BrN2O3c128189212(1017(18)23)11242521(26)15751334146816(22(25)27)20(15)19(13)14h2511H34H21H3b2411+
MFCD01204881
ZINC000001022960
ZINC33295074
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