Vitas-M small molecule compound

propan-2-yl 6-methyl-2-[(phenylcarbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK447552
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)Nc1ccccc1

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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 C20H24N2O3S MW 372.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3S/c1-12(2)25-19(23)17-15-10-9-13(3)11-16(15)26-18(17)22-20(24)21-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H2,21,22,24)
InChIKey
LGOCFLIAEOGAII-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)NC3=CC=CC=C3
InChI=1SC20H24N2O3Sc112(2)2519(23)171510913(3)1116(15)2618(17)2220(24)21147546814h481213H911H213H3(H2212224)
MFCD01340761
propan2yl6methyl2((phenylcarbamoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2(phenylcarbamoylamino)4567tetrahydro1benzothiophene3carboxylate
ZINC000005528142
ZINC000005529407

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Available files

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