Vitas-M small molecule compound
4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Catalog ID
STK830090
SMILES C=CCNC(=S)N1CCN(CC1)c1nc(C(C)C)c2c(c1C#N)CC(OC2)(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 C22H31N5OS MW 413.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5OS/c1-6-7-24-21(29)27-10-8-26(9-11-27)20-17(13-23)16-12-22(4,5)28-14-18(16)19(25-20)15(2)3/h6,15H,1,7-12,14H2,2-5H3,(H,24,29)InChIKey
HTMPITSMAODBFR-UHFFFAOYSA-NSynonyms
371946-60-0371946600
4(5cyano33dimethyl8(propan2yl)34dihydro1Hpyrano(34c)pyridin6yl)N(prop2en1yl)piperazine1carbothioamide
4(5CYANO33DIMETHYL8PROPAN2YL14DIHYDROPYRANO(34C)PYRIDIN6YL)NPROP2ENYLPIPERAZINE1CARBOTHIOAMIDE
CC(C)C1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=S)NCC=C)C#N)(C)C
InChI=1SC22H31N5OSc1672421(29)2710826(91127)2017(1323)161222(45)281418(16)19(2520)15(2)3h615H171214H225H3(H2429)
MFCD01563242
Nallyl4(5cyano8isopropyl33dimethyl34dihydro1Hpyrano(34c)pyridin6yl)piperazine1carbothioamide
ZINC000012382836
ZINC12382836
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