Vitas-M small molecule compound

ethyl 4-{3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

Catalog ID
STK199913
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/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 C17H20N4O2S MW 344.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O2S/c1-4-23-16(22)13-5-7-15(8-6-13)21-11(2)9-14(12(21)3)10-19-20-17(18)24/h5-10H,4H2,1-3H3,(H3,18,20,24)/b19-10+
InChIKey
FVZWGZOXCZCEQM-VXLYETTFSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)N)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=NNC(=S)N
ETHYL4(3((E)(2CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL4(3((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC17H20N4O2Sc142316(22)135715(8613)2111(2)914(12(21)3)10192017(18)24h510H4H213H3(H3182024)b1910+
MFCD01611358
ZINC000000447491
ZINC33315237

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Available files

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