Vitas-M small molecule compound
1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
Catalog ID
STK003757
SMILES COc1ccc2c(c1)C(C)CC(N2C(=O)CSc1nnc[nH]1)(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 C17H22N4O2S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S/c1-11-8-17(2,3)21(14-6-5-12(23-4)7-13(11)14)15(22)9-24-16-18-10-19-20-16/h5-7,10-11H,8-9H2,1-4H3,(H,18,19,20)InChIKey
IXDVNDJIMSMSGT-UHFFFAOYSA-NSynonyms
1(6METHOXY224TRIMETHYL34DIHYDRO2HQUINOLIN1YL)2(4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(6METHOXY224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)2(4H124TRIAZOL3YLSULFANYL)ETHANONE
1(6METHOXY224TRIMETHYL34DIHYDROQUINOLIN1YL)2(1H124TRIAZOL5YLSULFANYL)ETHANONE
CC1CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC=NN3)(C)C
COc1ccc2c(c1)C(C)CC(N2C(=O)CSc1nnc(nH)1)(C)C
InChI=1SC17H22N4O2Sc111817(23)21(146512(234)713(11)14)15(22)924161810192016h571011H89H214H3(H181920)
MFCD03119629
STK003757
ZINC000004373203
ZINC000004373205
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