Vitas-M small molecule compound
6-amino-4-{3-bromo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK496802
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)OC)OCc1cccc(c1)C)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 C23H21BrN4O3 MW 481.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O3/c1-12-5-4-6-14(7-12)11-30-21-17(24)8-15(9-18(21)29-3)20-16(10-25)22(26)31-23-19(20)13(2)27-28-23/h4-9,20H,11,26H2,1-3H3,(H,27,28)InChIKey
NXIQJGJLAFEYHE-UHFFFAOYSA-NSynonyms
526193-44-2526193442
6amino4(3bromo5methoxy4((3methylbenzyl)oxy)phenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(3BROMO5METHOXY4((3METHYLPHENYL)METHOXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C3C(=C(OC4=NNC(=C34)C)N)C#N)OC
InChI=1SC23H21BrN4O3c11254614(712)11302117(24)815(918(21)293)2016(1025)22(26)312319(20)13(2)272823h4920H1126H213H3(H2728)
MFCD03342196
N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)OC)OCc1cccc(c1)C)c(C)n(nH)2
ZINC000000622998
ZINC000000623002
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