Vitas-M small molecule compound

methyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK029036
SMILES CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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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 C13H17NO3S MW 267.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO3S/c1-3-10(15)14-12-11(13(16)17-2)8-6-4-5-7-9(8)18-12/h3-7H2,1-2H3,(H,14,15)
InChIKey
FISAWECSZNJEOJ-UHFFFAOYSA-N
Synonyms

CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC
CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2
InChI=1SC13H17NO3Sc1310(15)141211(13(16)172)864579(8)1812h37H212H3(H1415)
methyl2(propanoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD00435550
STK029036
ZINC000000134175
ZINC00134175
ZINC134175

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Available files

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