Vitas-M small molecule compound

methyl 2-({[4-(2-methylbenzyl)piperazin-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK466558
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)Cc2ccccc2C)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 C24H31N3O3S MW 441.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O3S/c1-17-7-3-4-8-18(17)15-26-11-13-27(14-12-26)16-21(28)25-23-22(24(29)30-2)19-9-5-6-10-20(19)31-23/h3-4,7-8H,5-6,9-16H2,1-2H3,(H,25,28)
InChIKey
BBJGXXBARILHKZ-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC24H31N3O3Sc117734818(17)1526111327(141226)1621(28)252322(24(29)302)199561020(19)3123h3478H56916H212H3(H2528)
methyl2(((4(2methylbenzyl)piperazin1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4((2methylphenyl)methyl)piperazin1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06053437
ZINC000019634753
ZINC19634753

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Available files

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