Vitas-M small molecule compound
2-({(E)-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK527419
SMILES N#Cc1c(/N=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2
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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 C21H18N4O2S MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S/c22-13-19-18-6-2-1-3-7-20(18)28-21(19)23-14-17-5-4-12-24(17)15-8-10-16(11-9-15)25(26)27/h4-5,8-12,14H,1-3,6-7H2/b23-14+InChIKey
UVOBLNMRGPRIFM-OEAKJJBVSA-NSynonyms
373613-96-8(E)2(((1(4nitrophenyl)1Hpyrrol2yl)methylene)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(((E)(1(4nitrophenyl)1Hpyrrol2yl)methylidene)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2((E)(1(4nitrophenyl)pyrrol2yl)methylideneamino)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
373613968
C1CCC2=C(CC1)SC(=C2C#N)N=CC3=CC=CN3C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H18N4O2Sc221319186213720(18)2821(19)231417541224(17)1581016(11915)25(26)27h4581214H1367H2b2314+
MFCD01948673
N#Cc1c(N=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))sc2c1CCCCC2
ZINC000004807409
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