Vitas-M small molecule compound

methyl 4-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzoate

Catalog ID
STK207013
SMILES COC(=O)c1ccc(cc1)NC(=S)NCCCN1CCCC1=O

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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 C16H21N3O3S MW 335.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O3S/c1-22-15(21)12-5-7-13(8-6-12)18-16(23)17-9-3-11-19-10-2-4-14(19)20/h5-8H,2-4,9-11H2,1H3,(H2,17,18,23)
InChIKey
MEJSLQROOCFHPA-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O
InChI=1SC16H21N3O3Sc12215(21)125713(8612)1816(23)17931119102414(19)20h58H24911H21H3(H2171823)
METHYL4((((3(2OXO1PYRROLIDINYL)PROPYL)AMINO)CARBONOTHIOYL)AMINO)BENZOATE
METHYL4((((3(2OXOPYRROLIDINYL)PROPYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
methyl4(((3(2oxopyrrolidin1yl)propyl)carbamothioyl)amino)benzoate
METHYL4(3(2OXOPYRROLIDIN1YL)PROPYLCARBAMOTHIOYLAMINO)BENZOATE
MFCD06629138
ZINC000013519026
ZINC13519026

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Available files

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