Vitas-M small molecule compound

ethyl 2-{[(phenylcarbonyl)carbamothioyl]amino}-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Catalog ID
STK831446
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(C2)CCc1ccccc1

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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 C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-2-32-25(31)22-20-14-16-29(15-13-18-9-5-3-6-10-18)17-21(20)34-24(22)28-26(33)27-23(30)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H2,27,28,30,33)
InChIKey
ATTANZDQPXUSJA-UHFFFAOYSA-N
Synonyms
5936-42-5
5936425
CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4
ethyl2(((phenylcarbonyl)carbamothioyl)amino)6(2phenylethyl)4567tetrahydrothieno(23c)pyridine3carboxylate
ethyl2(3benzoylthioureido)6phenethyl4567tetrahydrothieno(23c)pyridine3carboxylate
ethyl2(benzoylcarbamothioylamino)6(2phenylethyl)57dihydro4Hthieno(23c)pyridine3carboxylate
ETHYL2(BENZOYLCARBAMOTHIOYLAMINO)6PHENETHYL57DIHYDRO4HTHIENO(23C)PYRIDINE3CARBOXYLATE
ETHYL8(BENZOYLTHIOCARBAMOYLAMINO)3PHENETHYL9THIA3AZABICYCLO(430)NONA710DIENE7CARBOXYLATE
InChI=1SC26H27N3O3S2c123225(31)2220141629(15131895361018)1721(20)3424(22)2826(33)2723(30)19117481219h312H21317H21H3(H227283033)
MFCD01907407
ZINC000019596616
ZINC19596616

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Available files

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