Vitas-M small molecule compound
{[5-cyano-3,3-dimethyl-8-(pyrrolidinium-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
Catalog ID
STK560371
SMILES N#Cc1c(SCC(=O)[O-])nc(c2c1CC(C)(C)OC2)[NH+]1CCCC1
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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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-17(2)7-11-12(8-18)16(24-10-14(21)22)19-15(13(11)9-23-17)20-5-3-4-6-20/h3-7,9-10H2,1-2H3,(H,21,22)InChIKey
DPAPZZYDOREVAS-UHFFFAOYSA-NSynonyms
370577-10-9((5cyano33dimethyl8(pyrrolidinium1yl)34dihydro1Hpyrano(34c)pyridin6yl)sulfanyl)acetate
2((5CYANO33DIMETHYL8PYRROLIDIN1IUM1YL14DIHYDROPYRANO(34C)PYRIDIN6YL)SULFANYL)ACETATE
2((5CYANO33DIMETHYL8PYRROLIDIN1YL14DIHYDROPYRANO(34C)PYRIDIN6YL)SULFANYL)ACETICACID
2((5cyano33dimethyl8pyrrolidin1yl14dihydropyrano(34c)pyridin7ium6yl)sulfanyl)acetate
370577109
CC1(CC2=C(C(=(NH+)C(=C2CO1)N3CCCC3)SCC(=O)(O))C#N)C
InChI=1SC17H21N3O3Sc117(2)71112(818)16(241014(21)22)1915(13(11)92317)20534620h37910H212H3(H2122)
MFCD03011333
N#Cc1c(SCC(=O)(O))nc(c2c1CC(C)(C)OC2)(NH+)1CCCC1
ZINC000000547255
ZINC00547255
ZINC547255
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