Vitas-M small molecule compound
1-[4-(4-bromophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Catalog ID
STK072585
SMILES CCOc1ccc2c(c1)sc(n2)SCC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccc(cc1)Br
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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 C29H29BrN2O2S2 MW 581.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O2S2/c1-5-34-21-14-15-23-25(16-21)36-27(31-23)35-17-26(33)32-24-9-7-6-8-22(24)29(4,18-28(32,2)3)19-10-12-20(30)13-11-19/h6-16H,5,17-18H2,1-4H3InChIKey
DTYQFYCJYRLOEE-UHFFFAOYSA-NSynonyms
1(4(4BROMOPHENYL)224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)2((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)ETHANONE
1(4(4bromophenyl)224trimethyl34dihydroquinolin1(2H)yl)2((6ethoxybenzo(d)thiazol2yl)thio)ethanone
1(4(4BROMOPHENYL)224TRIMETHYL3HQUINOLIN1YL)2((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)ETHANONE
CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4C(CC3(C)C)(C)C5=CC=C(C=C5)Br
CCOc1ccc2c(c1)sc(n2)SCC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccc(cc1)Br
InChI=1SC29H29BrN2O2S2c15342114152325(1621)3627(3123)351726(33)3224976822(24)29(41828(322)3)19101220(30)131119h616H51718H214H3
MFCD01955150
STK072585
ZINC000097999477
ZINC000097999478
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