Vitas-M small molecule compound

3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile

Catalog ID
STK524705
SMILES CCCc1[nH]c(=O)c(c2c1CSC(C2)(C)C)C#N

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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 C14H18N2OS MW 262.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2OS/c1-4-5-12-11-8-18-14(2,3)6-9(11)10(7-15)13(17)16-12/h4-6,8H2,1-3H3,(H,16,17)
InChIKey
KKXJNXSLUMGQNP-UHFFFAOYSA-N
Synonyms
328068-50-4
328068504
33dimethyl6oxo8propyl3467tetrahydro1Hthiopyrano(34c)pyridine5carbonitrile
33DIMETHYL6OXO8PROPYL47DIHYDRO1HTHIOPYRANO(34C)PYRIDINE5CARBONITRILE
CCCc1(nH)c(=O)c(c2c1CSC(C2)(C)C)C#N
CCCC1=C2CSC(CC2=C(C(=O)N1)C#N)(C)C
InChI=1SC14H18N2OSc145121181814(23)69(11)10(715)13(17)1612h468H213H3(H1617)
MFCD01557920
ZINC000002207963
ZINC02207963
ZINC2207963

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.