Vitas-M small molecule compound

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

Catalog ID
STL379787
SMILES CCOc1cc(cc(c1OCc1cccc(c1)Cl)I)C1C(=C(N)Oc2c1c(C)n[nH]2)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 C23H20ClIN4O3 MW 562.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClIN4O3/c1-3-30-18-9-14(8-17(25)21(18)31-11-13-5-4-6-15(24)7-13)20-16(10-26)22(27)32-23-19(20)12(2)28-29-23/h4-9,20H,3,11,27H2,1-2H3,(H,28,29)
InChIKey
PHMDPAXGYVXTNX-UHFFFAOYSA-N
Synonyms

6amino4(4((3chlorobenzyl)oxy)3ethoxy5iodophenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(4((3CHLOROPHENYL)METHOXY)3ETHOXY5IODOPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)I)OCC4=CC(=CC=C4)Cl
CCOc1cc(cc(c1OCc1cccc(c1)Cl)I)C1C(=C(N)Oc2c1c(C)n(nH)2)C#N
InChI=1SC23H20ClIN4O3c133018914(817(25)21(18)31111354615(24)713)2016(1026)22(27)322319(20)12(2)282923h4920H31127H212H3(H2829)
MFCD04091234
ZINC000000661019
ZINC000000661021

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Available files

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