Vitas-M small molecule compound
(3Z)-3-(azepan-2-ylidene)-1-(2,6-dichlorophenyl)-5-nitro-1,3-dihydro-2H-indol-2-one
Catalog ID
STK847351
SMILES O=C1/C(=C\2/CCCCCN2)/c2c(N1c1c(Cl)cccc1Cl)ccc(c2)[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 C20H17Cl2N3O3 MW 418.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N3O3/c21-14-5-4-6-15(22)19(14)24-17-9-8-12(25(27)28)11-13(17)18(20(24)26)16-7-2-1-3-10-23-16/h4-6,8-9,11,23H,1-3,7,10H2/b18-16-InChIKey
TZWSVSJIGRZDNK-VLGSPTGOSA-NSynonyms
(3Z)3(azepan2ylidene)1(26dichlorophenyl)5nitro13dihydro2Hindol2one
(3Z)3(AZEPAN2YLIDENE)1(26DICHLOROPHENYL)5NITROINDOL2ONE
(Z)3(azepan2ylidene)1(26dichlorophenyl)5nitroindolin2one
C1CCC(=C2C3=C(C=CC(=C3)(N+)(=O)(O))N(C2=O)C4=C(C=CC=C4Cl)Cl)NCC1
InChI=1SC20H17Cl2N3O3c211454615(22)19(14)24179812(25(27)28)1113(17)18(20(24)26)167213102316h46891123H13710H2b1816
MFCD02053427
O=C1C(=C2CCCCCN2)c2c(N1c1c(Cl)cccc1Cl)ccc(c2)(N+)(=O)(O)
ZINC000009210819
ZINC09210819
ZINC9210819
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