Vitas-M small molecule compound

ethyl 2-[(2-chlorobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK525383
SMILES CCOC(=O)c1c(NC(=O)C(CC)Cl)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 C15H20ClNO3S MW 329.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20ClNO3S/c1-3-10(16)13(18)17-14-12(15(19)20-4-2)9-7-5-6-8-11(9)21-14/h10H,3-8H2,1-2H3,(H,17,18)
InChIKey
HYOCYZKRHFTIJY-UHFFFAOYSA-N
Synonyms
316357-94-5
316357945
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)Cl
ethyl2((2chlorobutanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2chlorobutanamido)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl2(2chlorobutanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC15H20ClNO3Sc1310(16)13(18)171412(15(19)2042)9756811(9)2114h10H38H212H3(H1718)
MFCD01087820
ZINC000000495666
ZINC000000495667

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Available files

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