Vitas-M small molecule compound

methyl 5-ethyl-2-{[(1-phenylpropyl)carbamothioyl]amino}thiophene-3-carboxylate

Catalog ID
STK436134
SMILES CCC(c1ccccc1)NC(=S)Nc1sc(cc1C(=O)OC)CC

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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 C18H22N2O2S2 MW 362.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O2S2/c1-4-13-11-14(17(21)22-3)16(24-13)20-18(23)19-15(5-2)12-9-7-6-8-10-12/h6-11,15H,4-5H2,1-3H3,(H2,19,20,23)
InChIKey
IKRAIVGIVSSPFS-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=S)NC(CC)C2=CC=CC=C2)C(=O)OC
InChI=1SC18H22N2O2S2c14131114(17(21)223)16(2413)2018(23)1915(52)1297681012h61115H45H213H3(H2192023)
METHYL5ETHYL2((((PHENYLPROPYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
methyl5ethyl2(((1phenylpropyl)carbamothioyl)amino)thiophene3carboxylate
METHYL5ETHYL2(1PHENYLPROPYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03944264
ZINC000006708554
ZINC000006708566

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Available files

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