Vitas-M small molecule compound
N-[3-({[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK213827
SMILES CCOc1ccc2c(c1)sc(n2)SCC(=O)Nc1cccc(c1)NC(=O)C12CC3CC(C2)CC(C1)C3
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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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-2-34-22-6-7-23-24(12-22)36-27(31-23)35-16-25(32)29-20-4-3-5-21(11-20)30-26(33)28-13-17-8-18(14-28)10-19(9-17)15-28/h3-7,11-12,17-19H,2,8-10,13-16H2,1H3,(H,29,32)(H,30,33)InChIKey
BSRKLIXUTFJHQS-UHFFFAOYSA-NSynonyms
540513-08-4540513084
CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5
InChI=1SC28H31N3O3S2c123422672324(1222)3627(3123)351625(32)292043521(1120)3026(33)281317818(1428)1019(917)1528h3711121719H28101316H21H3(H2932)(H3033)
MFCD02321483
N(3((((6ethoxy13benzothiazol2yl)sulfanyl)acetyl)amino)phenyl)tricyclo(3311~37~)decane1carboxamide
N(3((2((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)PHENYL)ADAMANTANE1CARBOXAMIDE
ZINC000010059033
ZINC10059033
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