Vitas-M small molecule compound
4-chloro-5-({2-[(4-nitrophenyl)amino]ethyl}amino)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridazin-3(2H)-one
Catalog ID
STK171883
SMILES Clc1c(NCCNc2ccc(cc2)[N+](=O)[O-])cnn(c1=O)C12CC3CC(C2)CC(C1)C3
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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 C22H26ClN5O3 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN5O3/c23-20-19(25-6-5-24-17-1-3-18(4-2-17)28(30)31)13-26-27(21(20)29)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,13-16,24-25H,5-12H2InChIKey
YCGXSBVUTCZYAU-UHFFFAOYSA-NSynonyms
662164-08-12(1ADAMANTYL)4CHLORO5(2(4NITROANILINO)ETHYLAMINO)PYRIDAZIN3ONE
4chloro5((2((4nitrophenyl)amino)ethyl)amino)2(tricyclo(3311~37~)dec1yl)pyridazin3(2H)one
662164081
C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCCNC5=CC=C(C=C5)(N+)(=O)(O))Cl
Clc1c(NCCNc2ccc(cc2)(N+)(=O)(O))cnn(c1=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC22H26ClN5O3c232019(256524171318(4217)28(30)31)132627(21(20)29)221014715(1122)916(814)1222h1413162425H512H2
MFCD04078859
ZINC000009891898
ZINC09891898
ZINC9891898
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