Vitas-M small molecule compound
2-({(E)-[3-nitro-4-(piperidin-1-yl)phenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL431261
SMILES N#Cc1c(/N=C/c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)sc2c1CCCC2
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c22-13-17-16-6-2-3-7-20(16)28-21(17)23-14-15-8-9-18(19(12-15)25(26)27)24-10-4-1-5-11-24/h8-9,12,14H,1-7,10-11H2/b23-14+InChIKey
VGYTZYOWCSRDCT-OEAKJJBVSA-NSynonyms
5531-17-92(((E)(3nitro4(piperidin1yl)phenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(3nitro4piperidin1ylphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
5531179
C1CCN(CC1)C2=C(C=C(C=C2)C=NC3=C(C4=C(S3)CCCC4)C#N)(N+)(=O)(O)
InChI=1SC21H22N4O2Sc22131716623720(16)2821(17)2314158918(19(1215)25(26)27)24104151124h891214H171011H2b2314+
MFCD01446294
N#Cc1c(N=Cc2ccc(c(c2)(N+)(=O)(O))N2CCCCC2)sc2c1CCCC2
ZINC000100164834
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