Vitas-M small molecule compound

methyl 4-{[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate

Catalog ID
STK087479
SMILES COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCC2

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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 C15H19N3O4S2 MW 369.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O4S2/c1-22-11(20)7-6-10(19)17-15(23)18-14-12(13(16)21)8-4-2-3-5-9(8)24-14/h2-7H2,1H3,(H2,16,21)(H2,17,18,19,23)
InChIKey
XDGVHKRILCSKCB-UHFFFAOYSA-N
Synonyms

COC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N
COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCC2
InChI=1SC15H19N3O4S2c12211(20)7610(19)1715(23)181412(13(16)21)842359(8)2414h27H21H3(H21621)(H217181923)
methyl4(((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamothioyl)amino)4oxobutanoate
methyl4((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamothioylamino)4oxobutanoate
MFCD03586642
STK087479
ZINC000004673127
ZINC04673127
ZINC4673127

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Available files

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