Vitas-M small molecule compound
(5Z)-2-amino-5-{3-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK112529
SMILES COc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])/C=C\1/C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
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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 C27H21N5O4 MW 479.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O4/c1-15-20(25-16(2)22(13-29)27(30)31-26(25)21(15)12-28)10-17-7-8-23(24(11-17)35-3)36-14-18-5-4-6-19(9-18)32(33)34/h4-11H,14H2,1-3H3,(H2,30,31)/b20-10-InChIKey
HJBJFSBMIZTUQV-JMIUGGIZSA-NSynonyms
(5Z)2amino5((3methoxy4((3nitrophenyl)methoxy)phenyl)methylidene)46dimethylcyclopenta(b)pyridine37dicarbonitrile
(5Z)2AMINO5(3METHOXY4((3NITROBENZYL)OXY)BENZYLIDENE)46DIMETHYL5HCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC4=CC(=CC=C4)(N+)(=O)(O))OC)C(=C(C(=N2)N)C#N)C)C#N
COc1cc(ccc1OCc1cccc(c1)(N+)(=O)(O))C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
InChI=1SC27H21N5O4c11520(2516(2)22(1329)27(30)3126(25)21(15)1228)10177823(24(1117)353)36141854619(918)32(33)34h411H14H213H3(H23031)b2010
MFCD05625436
ZINC000100371095
ZINC100371095
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