Vitas-M small molecule compound

6'-amino-3'-methyl-2,3,5,6-tetrahydro-2'H-spiro[pyran-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

Catalog ID
STK539920
SMILES N#CC1=C(N)Oc2c(C31CCOCC3)c(C)[nH]n2

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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 C12H14N4O2 MW 246.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O2/c1-7-9-11(16-15-7)18-10(14)8(6-13)12(9)2-4-17-5-3-12/h2-5,14H2,1H3,(H,15,16)
InChIKey
WSCCBPOMBWUHQI-UHFFFAOYSA-N
Synonyms
330645-46-0
330645460
6amino3methyl2356tetrahydro2Hspiro(pyran44pyrano(23c)pyrazole)5carbonitrile
6AMINO3METHYLSPIRO(2HPYRANO(23C)PYRAZOLE44OXANE)5CARBONITRILE
CC1=C2C(=NN1)OC(=C(C23CCOCC3)C#N)N
InChI=1SC12H14N4O2c17911(16157)1810(14)8(613)12(9)24175312h2514H21H3(H1516)
MFCD02070332
N#CC1=C(N)Oc2c(C31CCOCC3)c(C)(nH)n2
ZINC000006499357
ZINC6499357

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Available files

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