Vitas-M small molecule compound
4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Catalog ID
STK830097
SMILES C=CCNC(=S)N1CCN(CC1)c1nc(C(C)C)c2c(c1C#N)CCCC2
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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 C21H29N5S MW 383.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5S/c1-4-9-23-21(27)26-12-10-25(11-13-26)20-18(14-22)16-7-5-6-8-17(16)19(24-20)15(2)3/h4,15H,1,5-13H2,2-3H3,(H,23,27)InChIKey
HXHKBDQSZZLAFM-UHFFFAOYSA-NSynonyms
371938-27-1371938271
4(4cyano1(propan2yl)5678tetrahydroisoquinolin3yl)N(prop2en1yl)piperazine1carbothioamide
4(4cyano1propan2yl5678tetrahydroisoquinolin3yl)Nprop2enylpiperazine1carbothioamide
CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=S)NCC=C)C#N
InChI=1SC21H29N5Sc1492321(27)26121025(111326)2018(1422)16756817(16)19(2420)15(2)3h415H1513H223H3(H2327)
MFCD01562585
Nallyl4(4cyano1isopropyl5678tetrahydroisoquinolin3yl)piperazine1carbothioamide
ZINC000020827435
ZINC20827435
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