Vitas-M small molecule compound

propyl 2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK447776
SMILES CCCOC(=O)c1c(NC(=O)c2cc(OCC)c(c(c2)OCC)OCC)sc2c1CCCC2

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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 C25H33NO6S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO6S/c1-5-13-32-25(28)21-17-11-9-10-12-20(17)33-24(21)26-23(27)16-14-18(29-6-2)22(31-8-4)19(15-16)30-7-3/h14-15H,5-13H2,1-4H3,(H,26,27)
InChIKey
PLHKEBJNUGLVDI-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC
InChI=1SC25H33NO6Sc15133225(28)2117119101220(17)3324(21)2623(27)161418(2962)22(3184)19(1516)3073h1415H513H214H3(H2627)
MFCD01339389
propyl2(((345triethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl2((345triethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000020595392
ZINC20595392

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Available files

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