Vitas-M small molecule compound

N'-{(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene}pentanehydrazide

Catalog ID
STK755465
SMILES CCCCC(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Sc1nc2c(s1)cccc2

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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 C19H18N4O3S2 MW 414.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S2/c1-2-3-8-18(24)22-20-12-13-9-10-17(15(11-13)23(25)26)28-19-21-14-6-4-5-7-16(14)27-19/h4-7,9-12H,2-3,8H2,1H3,(H,22,24)/b20-12+
InChIKey
UGHPJZQUWOHSSM-UDWIEESQSA-N
Synonyms

CCCCC(=O)NN=CC1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)(N+)(=O)(O)
CCCCC(=O)NN=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nc2c(s1)cccc2
InChI=1SC19H18N4O3S2c123818(24)2220121391017(15(1113)23(25)26)28192114645716(14)2719h47912H238H21H3(H2224)b2012+
MFCD00762619
N((1E)2(4BENZOTHIAZOL2YLTHIO3NITROPHENYL)1AZAVINYL)PENTANAMIDE
N((E)(4(13benzothiazol2ylsulfanyl)3nitrophenyl)methylidene)pentanehydrazide
N((E)(4(13BENZOTHIAZOL2YLSULFANYL)3NITROPHENYL)METHYLIDENEAMINO)PENTANAMIDE
N(4(13BENZOTHIAZOL2YLSULFANYL)3NITROBENZYLIDENE)PENTANOHYDRAZIDE
ZINC000002187625
ZINC33349936

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.