Vitas-M small molecule compound

1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STK305068
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

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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 C27H19BrCl2N6O3 MW 626.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrCl2N6O3/c28-17-8-6-15(7-9-17)20-13-22(16-4-2-1-3-5-16)36(32-20)23(37)14-34-25-24(31-33-34)26(38)35(27(25)39)21-11-10-18(29)12-19(21)30/h1-12,22,24-25H,13-14H2
InChIKey
SSHXXUAFADCTCG-UHFFFAOYSA-N
Synonyms
1024310-95-9
1(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(24dichlorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024310959
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(24DICHLOROPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C=C(C=C5)Cl)Cl)N=N3)C6=CC=CC=C6
InChI=1SC27H19BrCl2N6O3c28178615(7917)201322(164213516)36(3220)23(37)14342524(313334)26(38)35(27(25)39)21111018(29)1219(21)30h112222425H1314H2
MFCD04049517
ZINC000150630499
ZINC000229873172

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Available files

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