Vitas-M small molecule compound

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

Catalog ID
STK419659
SMILES ClCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)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 C16H22ClNO3S MW 343.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22ClNO3S/c1-10(2)21-16(20)14-11-6-3-4-7-12(11)22-15(14)18-13(19)8-5-9-17/h10H,3-9H2,1-2H3,(H,18,19)
InChIKey
DYJIJHGSTXBYRF-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCCl
InChI=1SC16H22ClNO3Sc110(2)2116(20)1411634712(11)2215(14)1813(19)85917h10H39H212H3(H1819)
MFCD02372023
propan2yl2((4chlorobutanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(4chlorobutanoylamino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002027902
ZINC02027902
ZINC2027902

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Available files

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