Vitas-M small molecule compound

dipropan-2-yl 5-{[(3-methoxypropyl)carbamothioyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK974107
SMILES COCCCNC(=S)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C

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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 C19H28N2O5S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N2O5S/c1-12(2)25-17(22)14-9-15(18(23)26-13(3)4)11-16(10-14)21-19(27)20-7-6-8-24-5/h9-13H,6-8H2,1-5H3,(H2,20,21,27)
InChIKey
DSURLMQJCQYBHX-UHFFFAOYSA-N
Synonyms
832144-98-6
832144986
CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NCCCOC)C(=O)OC(C)C
dipropan2yl5(((3methoxypropyl)carbamothioyl)amino)benzene13dicarboxylate
dipropan2yl5(3methoxypropylcarbamothioylamino)benzene13dicarboxylate
InChI=1SC19H28N2O5Sc112(2)2517(22)14915(18(23)2613(3)4)1116(1014)2119(27)20768245h913H68H215H3(H2202127)
MFCD04137468
ZINC000006239010
ZINC06239010
ZINC6239010

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Available files

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