Vitas-M small molecule compound
2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL402626
SMILES N#CC1=C(N)OC2=C(C1c1cn(nc1c1ccccc1)Cc1ccc(cc1)Br)C(=O)CC(C2)(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 C28H25BrN4O2 MW 529.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN4O2/c1-28(2)12-22(34)25-23(13-28)35-27(31)20(14-30)24(25)21-16-33(15-17-8-10-19(29)11-9-17)32-26(21)18-6-4-3-5-7-18/h3-11,16,24H,12-13,15,31H2,1-2H3InChIKey
OOIJPYOYNODUKQ-UHFFFAOYSA-NSynonyms
492426-65-02AMINO4(1((4BROMOPHENYL)METHYL)3PHENYLPYRAZOL4YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
2amino4(1(4bromobenzyl)3phenyl1Hpyrazol4yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
492426650
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)C1)C
InChI=1SC28H25BrN4O2c128(2)1222(34)2523(1328)3527(31)20(1430)24(25)211633(151781019(29)11917)3226(21)186435718h3111624H12131531H212H3
MFCD02175641
ZINC000000648507
ZINC000002768393
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