Vitas-M small molecule compound

methyl 5-({4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy}methyl)furan-2-carboxylate

Catalog ID
STK709523
SMILES COC(=O)c1ccc(o1)COc1ccc(cc1OC)/C=N/NC(=S)N

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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 C16H17N3O5S MW 363.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S/c1-21-14-7-10(8-18-19-16(17)25)3-5-12(14)23-9-11-4-6-13(24-11)15(20)22-2/h3-8H,9H2,1-2H3,(H3,17,19,25)/b18-8+
InChIKey
ZZIRHZNEZNVPHA-QGMBQPNBSA-N
Synonyms

(E)methyl5((4((2carbamothioylhydrazono)methyl)2methoxyphenoxy)methyl)furan2carboxylate
COC(=O)c1ccc(o1)COc1ccc(cc1OC)C=NNC(=S)N
COC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC=C(O2)C(=O)OC
InChI=1SC16H17N3O5Sc12114710(8181916(17)25)3512(14)239114613(2411)15(20)222h38H9H212H3(H3171925)b188+
methyl5((4((E)(2carbamothioylhydrazinylidene)methyl)2methoxyphenoxy)methyl)furan2carboxylate
METHYL5((4((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)2METHOXYPHENOXY)METHYL)FURAN2CARBOXYLATE
MFCD02766551
ZINC000002284156
ZINC33352215

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Available files

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