Vitas-M small molecule compound
ethyl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK315938
SMILES CCOC(=O)c1c(sc2c1CCC(C2)CC)NC(=O)c1sc2c(c1Cl)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 C22H22ClNO3S2 MW 448.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO3S2/c1-3-12-9-10-13-16(11-12)29-21(17(13)22(26)27-4-2)24-20(25)19-18(23)14-7-5-6-8-15(14)28-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,25)InChIKey
LWZLVXUOCRWAPO-UHFFFAOYSA-NSynonyms
438532-14-0438532140
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl
ethyl2(((3chloro1benzothiophen2yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((3chloro1benzothiophene2carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H22ClNO3S2c13129101316(1112)2921(17(13)22(26)2742)2420(25)1918(23)14756815(14)2819h5812H34911H212H3(H2425)
MFCD02243019
ZINC000002105198
ZINC000002105199
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