Vitas-M small molecule compound
5-(2,6-dichlorophenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK302850
SMILES O=C(N1N=C(CC1c1ccccc1)c1ccccc1)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 C27H20Cl2N6O3 MW 547.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Cl2N6O3/c28-18-12-7-13-19(29)24(18)34-26(37)23-25(27(34)38)33(32-30-23)15-22(36)35-21(17-10-5-2-6-11-17)14-20(31-35)16-8-3-1-4-9-16/h1-13,21,23,25H,14-15H2InChIKey
UCOWAOOPODWUDL-UHFFFAOYSA-NSynonyms
1024319-41-21024319412
5(26dichlorophenyl)1(2(35diphenyl45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(26DICHLOROPHENYL)3(2(35DIPHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1C(N(N=C1C2=CC=CC=C2)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C=CC=C5Cl)Cl)N=N3)C6=CC=CC=C6
InChI=1SC27H20Cl2N6O3c28181271319(29)24(18)3426(37)2325(27(34)38)33(323023)1522(36)3521(17105261117)1420(3135)168314916h113212325H1415H2
MFCD04048886
ZINC000103151453
ZINC000230074775
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