Vitas-M small molecule compound
3,3-dimethyl-6-(methylsulfanyl)-8-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Catalog ID
STL315154
SMILES N#Cc1c(SC)nc(c2c1CC(C)(C)OC2)N1CCN(CC1)CC(=O)N1CCOCC1
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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 C22H31N5O3S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O3S/c1-22(2)12-16-17(13-23)21(31-3)24-20(18(16)15-30-22)27-6-4-25(5-7-27)14-19(28)26-8-10-29-11-9-26/h4-12,14-15H2,1-3H3InChIKey
NAJKAHKQBWOLGX-UHFFFAOYSA-NSynonyms
1442079-44-81442079448
33dimethyl6(methylsulfanyl)8(4(2(morpholin4yl)2oxoethyl)piperazin1yl)34dihydro1Hpyrano(34c)pyridine5carbonitrile
33dimethyl6(methylthio)8(4(2morpholino2oxoethyl)piperazin1yl)34dihydro1Hpyrano(34c)pyridine5carbonitrile
33dimethyl6methylsulfanyl8(4(2morpholin4yl2oxoethyl)piperazin1yl)14dihydropyrano(34c)pyridine5carbonitrile
CC1(CC2=C(C(=NC(=C2CO1)N3CCN(CC3)CC(=O)N4CCOCC4)SC)C#N)C
InChI=1SC22H31N5O3Sc122(2)121617(1323)21(313)2420(18(16)153022)276425(5727)1419(28)268102911926h4121415H213H3
MFCD28027090
ZINC000095476859
ZINC95476859
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