Vitas-M small molecule compound
6-tert-butyl-2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK675701
SMILES CCOc1ccc2c(c1)sc(n2)SC(c1ccc(cc1)Cl)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)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 C29H30ClN3OS3 MW 568.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN3OS3/c1-5-34-20-11-13-23-25(15-20)36-28(32-23)37-26(17-6-9-19(30)10-7-17)33-27-22(16-31)21-12-8-18(29(2,3)4)14-24(21)35-27/h6-7,9-11,13,15,18,26,33H,5,8,12,14H2,1-4H3InChIKey
XDFWKVYKQUSGKD-UHFFFAOYSA-NSynonyms
309279-12-7309279127
6tertbutyl2(((4chlorophenyl)((6ethoxy13benzothiazol2yl)sulfanyl)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
CCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=C(C=C3)Cl)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N
InChI=1SC29H30ClN3OS3c15342011132325(1520)3628(3223)3726(176919(30)10717)332722(1631)2112818(29(23)4)1424(21)3527h679111315182633H581214H214H3
MFCD01820167
ZINC000002756408
ZINC000008426070
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