Vitas-M small molecule compound
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,6-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK304998
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl
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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/c28-17-11-9-15(10-12-17)20-13-21(16-5-2-1-3-6-16)36(32-20)22(37)14-34-25-23(31-33-34)26(38)35(27(25)39)24-18(29)7-4-8-19(24)30/h1-12,21,23,25H,13-14H2InChIKey
LIUXDEHBQUIULJ-UHFFFAOYSA-NSynonyms
1024232-43-61(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(26dichlorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024232436
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(26DICHLOROPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C=CC=C5Cl)Cl)N=N3)C6=CC=CC=C6
InChI=1SC27H19BrCl2N6O3c281711915(101217)201321(165213616)36(3220)22(37)14342523(313334)26(38)35(27(25)39)2418(29)74819(24)30h112212325H1314H2
MFCD04049518
ZINC000150630177
ZINC000229872508
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