Vitas-M small molecule compound
2-{5-(4-bromophenyl)-1-[(2E)-3-phenylprop-2-enoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl (2E)-3-phenylprop-2-enoate
Catalog ID
STL444472
SMILES Brc1ccc(cc1)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccccc1OC(=O)/C=C/c1ccccc1
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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 C33H25BrN2O3 MW 577.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25BrN2O3/c34-27-19-17-26(18-20-27)30-23-29(35-36(30)32(37)21-15-24-9-3-1-4-10-24)28-13-7-8-14-31(28)39-33(38)22-16-25-11-5-2-6-12-25/h1-22,30H,23H2/b21-15+,22-16+InChIKey
YVUFHOWELAQJSA-YHARCJFQSA-NSynonyms
(2(3(4BROMOPHENYL)2((E)3PHENYLPROP2ENOYL)34DIHYDROPYRAZOL5YL)PHENYL)(E)3PHENYLPROP2ENOATE
2(5(4bromophenyl)1((2E)3phenylprop2enoyl)45dihydro1Hpyrazol3yl)phenyl(2E)3phenylprop2enoate
Brc1ccc(cc1)C1CC(=NN1C(=O)C=Cc1ccccc1)c1ccccc1OC(=O)C=Cc1ccccc1
C1C(N(N=C1C2=CC=CC=C2OC(=O)C=CC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI=1SC33H25BrN2O3c3427191726(182027)302329(3536(30)32(37)21152493141024)2813781431(28)3933(38)221625115261225h12230H23H2b2115+2216+
MFCD06240106
ZINC000101382882
ZINC000103562477
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