Vitas-M small molecule compound
{[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetic acid
Catalog ID
STK524933
SMILES N#CC1=C(SCC(=O)O)NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(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 C20H19BrN2O3S MW 447.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O3S/c1-20(2)7-14-18(15(24)8-20)17(11-3-5-12(21)6-4-11)13(9-22)19(23-14)27-10-16(25)26/h3-6,17,23H,7-8,10H2,1-2H3,(H,25,26)InChIKey
HTRIYXWEWDJQMO-UHFFFAOYSA-NSynonyms
303088-71-3((4(4bromophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)aceticacid
2((4(4bromophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)aceticacid
2((4(4bromophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)aceticacid
303088713
CC1(CC2=C(C(C(=C(N2)SCC(=O)O)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C
InChI=1SC20H19BrN2O3Sc120(2)71418(15(24)820)17(113512(21)6411)13(922)19(2314)271016(25)26h361723H7810H212H3(H2526)
ZINC000020813601
ZINC000020813604
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