Vitas-M small molecule compound

3-chloro-6-nitro-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

Catalog ID
STK488184
SMILES COc1c(/C=N/NC(=O)c2sc3c(c2Cl)ccc(c3)[N+](=O)[O-])ccc(c1OC)OC

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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 C19H16ClN3O6S MW 449.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O6S/c1-27-13-7-4-10(16(28-2)17(13)29-3)9-21-22-19(24)18-15(20)12-6-5-11(23(25)26)8-14(12)30-18/h4-9H,1-3H3,(H,22,24)/b21-9+
InChIKey
ZHCLHDYGJNAUAT-ZVBGSRNCSA-N
Synonyms

3chloro6nitroN((E)(234trimethoxyphenyl)methylidene)1benzothiophene2carbohydrazide
3chloro6nitroN((E)(234trimethoxyphenyl)methylideneamino)1benzothiophene2carboxamide
COC1=C(C(=C(C=C1)C=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl)OC)OC
COc1c(C=NNC(=O)c2sc3c(c2Cl)ccc(c3)(N+)(=O)(O))ccc(c1OC)OC
InChI=1SC19H16ClN3O6Sc127137410(16(282)17(13)293)9212219(24)1815(20)126511(23(25)26)814(12)3018h49H13H3(H2224)b219+
MFCD09451289
N((1E)2(234TRIMETHOXYPHENYL)1AZAVINYL)(3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBOXAMIDE
ZINC000013331865
ZINC59601530

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Available files

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