Vitas-M small molecule compound

6-amino-3-tert-butyl-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK873701
SMILES N#CC1=C(N)Oc2c(C1c1c(C)nn(c1Cl)c1ccccc1)c(n[nH]2)C(C)(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 C21H21ClN6O MW 408.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O/c1-11-14(18(22)28(27-11)12-8-6-5-7-9-12)15-13(10-23)19(24)29-20-16(15)17(25-26-20)21(2,3)4/h5-9,15H,24H2,1-4H3,(H,25,26)
InChIKey
VUPFXRVTPNXFLN-UHFFFAOYSA-N
Synonyms
310440-85-8
310440858
6amino3(tertbutyl)4(5chloro3methyl1phenyl1Hpyrazol4yl)24dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(TERTBUTYL)4(5CHLORO3METHYL1PHENYLPYRAZOL4YL)4HPYRANO(23C)PYRAZOLE5CARBONITRILE
6amino3tertbutyl4(5chloro3methyl1phenyl1Hpyrazol4yl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3TERTBUTYL4(5CHLORO3METHYL1PHENYLPYRAZOL4YL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=NN(C(=C1C2C(=C(OC3=NNC(=C23)C(C)(C)C)N)C#N)Cl)C4=CC=CC=C4
InChI=1SC21H21ClN6Oc11114(18(22)28(2711)128657912)1513(1023)19(24)292016(15)17(252620)21(23)4h5915H24H214H3(H2526)
MFCD18170138
N#CC1=C(N)Oc2c(C1c1c(C)nn(c1Cl)c1ccccc1)c((nH)n2)C(C)(C)C
N#CC1=C(N)Oc2c(C1c1c(C)nn(c1Cl)c1ccccc1)c(n(nH)2)C(C)(C)C
ZINC000001282623
ZINC000001282624

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Available files

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