Vitas-M small molecule compound
2-[(E)-2-(dimethylamino)ethenyl]-7-[(dimethylammonio)methyl]-1-(4-methoxyphenyl)-3-nitro-1H-indol-6-olate
Catalog ID
STK570834
SMILES COc1ccc(cc1)n1c2c(C[NH+](C)C)c([O-])ccc2c(c1/C=C/N(C)C)[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 C22H26N4O4 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4/c1-23(2)13-12-19-22(26(28)29)17-10-11-20(27)18(14-24(3)4)21(17)25(19)15-6-8-16(30-5)9-7-15/h6-13,27H,14H2,1-5H3/b13-12+InChIKey
RKAJCIAQWYAAJJ-OUKQBFOZSA-NSynonyms
352548-45-92((E)2(dimethylamino)ethenyl)7((dimethylammonio)methyl)1(4methoxyphenyl)3nitro1Hindol6olate
2((E)2(DIMETHYLAMINO)ETHENYL)7((DIMETHYLAZANIUMYL)METHYL)1(4METHOXYPHENYL)3NITROINDOL6OLATE
2((E)2(DIMETHYLAMINO)ETHENYL)7(DIMETHYLAMINOMETHYL)1(4METHOXYPHENYL)3NITROINDOL6OL
352548459
C(NH+)(C)CC1=C(C=CC2=C1N(C(=C2(N+)(=O)(O))C=CN(C)C)C3=CC=C(C=C3)OC)(O)
COc1ccc(cc1)n1c2c(C(NH+)(C)C)c((O))ccc2c(c1C=CN(C)C)(N+)(=O)(O)
InChI=1SC22H26N4O4c123(2)13121922(26(28)29)17101120(27)18(1424(3)4)21(17)25(19)156816(305)9715h61327H14H215H3b1312+
MFCD00563885
ZINC000018033160
ZINC18033160
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