Vitas-M small molecule compound

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

Catalog ID
STK451781
SMILES CCCOC(=O)c1c(sc2c1CCC(C2)c1ccccc1)NC(=O)C1CC1c1ccccc1

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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 C28H29NO3S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO3S/c1-2-15-32-28(31)25-21-14-13-20(18-9-5-3-6-10-18)16-24(21)33-27(25)29-26(30)23-17-22(23)19-11-7-4-8-12-19/h3-12,20,22-23H,2,13-17H2,1H3,(H,29,30)
InChIKey
USNGRHCTNMXYBY-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4CC4C5=CC=CC=C5
InChI=1SC28H29NO3Sc12153228(31)2521141320(1895361018)1624(21)3327(25)2926(30)231722(23)19117481219h312202223H21317H21H3(H2930)
MFCD03758300
propyl6phenyl2(((2phenylcyclopropyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl6phenyl2((2phenylcyclopropanecarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002103466
ZINC000017136228

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Available files

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