Vitas-M small molecule compound

methyl 4-{3-[(furan-2-ylmethyl)(methylcarbamothioyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate

Catalog ID
STK864465
SMILES CNC(=S)N(C1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC)Cc1ccco1

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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 C19H19N3O5S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5S/c1-20-19(28)21(11-14-4-3-9-27-14)15-10-16(23)22(17(15)24)13-7-5-12(6-8-13)18(25)26-2/h3-9,15H,10-11H2,1-2H3,(H,20,28)
InChIKey
GAJHCWSPTXTEFT-UHFFFAOYSA-N
Synonyms
471261-28-6
471261286
CNC(=S)N(CC1=CC=CO1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC
InChI=1SC19H19N3O5Sc12019(28)21(11144392714)151016(23)22(17(15)24)137512(6813)18(25)262h3915H1011H212H3(H2028)
METHYL4((3R)3((FURAN2YLMETHYL)(METHYLCARBAMOTHIOYL)AMINO)25DIOXOPYRROLIDIN1YL)BENZOATE
methyl4(3((furan2ylmethyl)(methylcarbamothioyl)amino)25dioxopyrrolidin1yl)benzoate
methyl4(3(1(furan2ylmethyl)3methylthioureido)25dioxopyrrolidin1yl)benzoate
METHYL4(3(FURAN2YLMETHYL(METHYLCARBAMOTHIOYL)AMINO)25DIOXOPYRROLIDIN1YL)BENZOATE
MFCD01629024
ZINC000001211636
ZINC000100284513

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Available files

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