Vitas-M small molecule compound

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

Catalog ID
STK728298
SMILES COC(=O)c1cccc(c1)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 C16H18N4O2S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S/c1-10-7-13(9-18-19-16(17)23)11(2)20(10)14-6-4-5-12(8-14)15(21)22-3/h4-9H,1-3H3,(H3,17,19,23)/b18-9+
InChIKey
UBTDWZQZYSYRPZ-GIJQJNRQSA-N
Synonyms
862675-68-1
(E)methyl3(3((2carbamothioylhydrazono)methyl)25dimethyl1Hpyrrol1yl)benzoate
862675681
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=NNC(=S)N
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=NNC(=S)N
InChI=1SC16H18N4O2Sc110713(9181916(17)23)11(2)20(10)1464512(814)15(21)223h49H13H3(H3171923)b189+
methyl3(3((E)(2carbamothioylhydrazinylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
methyl3(3((E)(carbamothioylhydrazinylidene)methyl)25dimethylpyrrol1yl)benzoate
MFCD07642572
ZINC000005485645
ZINC38201759

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Available files

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