Vitas-M small molecule compound

6-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid

Catalog ID
STK700893
SMILES COc1c(C(=O)O)c(/C=N/NC(=S)N)ccc1OC

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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 C11H13N3O4S MW 283.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3O4S/c1-17-7-4-3-6(5-13-14-11(12)19)8(10(15)16)9(7)18-2/h3-5H,1-2H3,(H,15,16)(H3,12,14,19)/b13-5+
InChIKey
FEACGOVEAHMHOB-WLRTZDKTSA-N
Synonyms
26342-02-9
(E)6((2carbamothioylhydrazono)methyl)23dimethoxybenzoicacid
26342029
6((E)(2carbamothioylhydrazinylidene)methyl)23dimethoxybenzoicacid
6((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C=NNC(=S)N)C(=O)O)OC
COc1c(C(=O)O)c(C=NNC(=S)N)ccc1OC
InChI=1SC11H13N3O4Sc1177436(5131411(12)19)8(10(15)16)9(7)182h35H12H3(H1516)(H3121419)b135+
MFCD01582795
ZINC000000548424
ZINC33324407

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Available files

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