Vitas-M small molecule compound

methyl 2-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK408020
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc2c(c1Cl)ccc(c2)C

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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 C20H18ClNO3S2 MW 419.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO3S2/c1-10-7-8-12-14(9-10)26-17(16(12)21)18(23)22-19-15(20(24)25-2)11-5-3-4-6-13(11)27-19/h7-9H,3-6H2,1-2H3,(H,22,23)
InChIKey
HKGQKQIHIFYDPW-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)Cl
InChI=1SC20H18ClNO3S2c110781214(910)2617(16(12)21)18(23)221915(20(24)252)11534613(11)2719h79H36H212H3(H2223)
methyl2(((3chloro6methyl1benzothiophen2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3chloro6methyl1benzothiophene2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01354896
ZINC000002095779
ZINC02095779
ZINC2095779

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Available files

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