Vitas-M small molecule compound

4-{6-amino-5-cyano-3-[4-(2-methylpropyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-4-yl}-2,6-dimethoxyphenyl benzoate

Catalog ID
STK995737
SMILES N#CC1=C(N)Oc2c(C1c1cc(OC)c(c(c1)OC)OC(=O)c1ccccc1)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 C32H30N4O5 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O5/c1-18(2)14-19-10-12-20(13-11-19)28-27-26(23(17-33)30(34)41-31(27)36-35-28)22-15-24(38-3)29(25(16-22)39-4)40-32(37)21-8-6-5-7-9-21/h5-13,15-16,18,26H,14,34H2,1-4H3,(H,35,36)
InChIKey
SFWDAFMEIGMOIU-UHFFFAOYSA-N
Synonyms

(4(6AMINO5CYANO3(4(2METHYLPROPYL)PHENYL)24DIHYDROPYRANO(23C)PYRAZOL4YL)26DIMETHOXYPHENYL)BENZOATE
4(6amino5cyano3(4(2methylpropyl)phenyl)14dihydropyrano(23c)pyrazol4yl)26dimethoxyphenylbenzoate
4(6AMINO5CYANO3(4ISOBUTYLPHENYL)14DIHYDROPYRANO(23C)PYRAZOL4YL)26DIMETHOXYPHENYLBENZOATE
CC(C)CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C(=C4)OC)OC(=O)C5=CC=CC=C5)OC
InChI=1SC32H30N4O5c118(2)1419101220(131119)282726(23(1733)30(34)4131(27)363528)221524(383)29(25(1622)394)4032(37)218657921h51315161826H1434H214H3(H3536)
MFCD03697390
N#CC1=C(N)Oc2c(C1c1cc(OC)c(c(c1)OC)OC(=O)c1ccccc1)c(n(nH)2)c1ccc(cc1)CC(C)C
ZINC000000985875
ZINC000000985876

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Available files

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