Vitas-M small molecule compound

6-amino-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK080733
SMILES CCCc1n[nH]c2c1C(c1ccc(cc1)OCc1ccccc1Cl)C(=C(O2)N)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 C23H21ClN4O2 MW 420.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O2/c1-2-5-19-21-20(17(12-25)22(26)30-23(21)28-27-19)14-8-10-16(11-9-14)29-13-15-6-3-4-7-18(15)24/h3-4,6-11,20H,2,5,13,26H2,1H3,(H,27,28)
InChIKey
KNCIHBWPEYXWCT-UHFFFAOYSA-N
Synonyms
612513-60-7
(4S)6AMINO4(4((2CHLOROBENZYL)OXY)PHENYL)3PROPYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
612513607
6AMINO4(4((2CHLOROBENZYL)OXY)PHENYL)3PROPYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4((2CHLOROPHENYL)METHOXY)PHENYL)3PROPYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4((2CHLOROPHENYL)METHOXY)PHENYL)3PROPYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl
CCCc1n(nH)c2c1C(c1ccc(cc1)OCc1ccccc1Cl)C(=C(O2)N)C#N
InChI=1SC23H21ClN4O2c125192120(17(1225)22(26)3023(21)282719)1481016(11914)291315634718(15)24h3461120H251326H21H3(H2728)
MFCD03342511
STK080733
ZINC000018136677
ZINC000032511752

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Available files

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