Vitas-M small molecule compound
5-(2-chlorophenyl)-2-(6,8-dioxabicyclo[3.2.1]oct-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (non-preferred name)
Catalog ID
STK769781
SMILES C=CCn1c(nn(c1=S)C1CCC2OC1CO2)c1ccccc1Cl
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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 C17H18ClN3O2S MW 363.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3O2S/c1-2-9-20-16(11-5-3-4-6-12(11)18)19-21(17(20)24)13-7-8-15-22-10-14(13)23-15/h2-6,13-15H,1,7-10H2InChIKey
NSQTYYBKUNIREJ-UHFFFAOYSA-NSynonyms
1(68DIOXABICYCLO(321)OCT2YL)3(2CHLOROPHENYL)4PROP2ENYL124TRIAZOLINE5THIONE
5(2chlorophenyl)2(68dioxabicyclo(321)oct2yl)4(prop2en1yl)24dihydro3H124triazole3thione(nonpreferredname)
5(2CHLOROPHENYL)2(78DIOXABICYCLO(321)OCTAN4YL)4PROP2ENYL124TRIAZOLE3THIONE
C=CCN1C(=NN(C1=S)C2CCC3OCC2O3)C4=CC=CC=C4Cl
InChI=1SC17H18ClN3O2Sc1292016(11534612(11)18)1921(17(20)24)137815221014(13)2315h261315H1710H2
MFCD03763653
ZINC000103002380
ZINC000103002382
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