Vitas-M small molecule compound

6-amino-4-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK995738
SMILES N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)c(n[nH]2)c1ccc(cc1)CC(C)C

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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 C24H22N4O3 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3/c1-13(2)9-14-3-5-15(6-4-14)22-21-20(16-7-8-18-19(10-16)30-12-29-18)17(11-25)23(26)31-24(21)28-27-22/h3-8,10,13,20H,9,12,26H2,1-2H3,(H,27,28)
InChIKey
YTQQXSKSXKXGOR-UHFFFAOYSA-N
Synonyms
448909-47-5
448909475
6amino4(13benzodioxol5yl)3(4(2methylpropyl)phenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(13BENZODIOXOL5YL)3(4(2METHYLPROPYL)PHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(13BENZODIOXOL5YL)3(4ISOBUTYLPHENYL)14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC(C)CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4)OCO5
InChI=1SC24H22N4O3c113(2)9143515(6414)222120(16781819(1016)30122918)17(1125)23(26)3124(21)282722h38101320H91226H212H3(H2728)
MFCD03069078
N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)c(n(nH)2)c1ccc(cc1)CC(C)C
ZINC000000985833
ZINC000000985834

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Available files

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