Vitas-M small molecule compound

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

Catalog ID
STK057211
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)OCc1ccc(cc1)Cl)c(C)n[nH]2

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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 C21H17ClN4O2 MW 392.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2/c1-12-18-19(17(10-23)20(24)28-21(18)26-25-12)14-4-8-16(9-5-14)27-11-13-2-6-15(22)7-3-13/h2-9,19H,11,24H2,1H3,(H,25,26)
InChIKey
CMSOQGKHVFLHPD-UHFFFAOYSA-N
Synonyms
488120-82-7
(4R)6AMINO4(4((4CHLOROBENZYL)OXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
(4S)6AMINO4(4((4CHLOROBENZYL)OXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
488120827
6AMINO4(4((4CHLOROBENZYL)OXY)PHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4((4CHLOROPHENYL)METHOXY)PHENYL)3METHYL1H4HPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4((4CHLOROPHENYL)METHOXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4((4CHLOROPHENYL)METHOXY)PHENYL)3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI=1SC21H17ClN4O2c1121819(17(1023)20(24)2821(18)262512)144816(9514)2711132615(22)7313h2919H1124H21H3(H2526)
MFCD03289368
N#CC1=C(N)Oc2c(C1c1ccc(cc1)OCc1ccc(cc1)Cl)c(C)n(nH)2
STK057211
ZINC000018115393
ZINC000032509025

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Available files

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