Vitas-M small molecule compound
5-(4-bromophenyl)-1-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2-yl)-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
STL174285
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccc2c(c1)cccc2
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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 C32H25BrN6O4 MW 637.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25BrN6O4/c1-43-25-14-8-20(9-15-25)27-17-26(22-7-6-19-4-2-3-5-21(19)16-22)35-39(27)28(40)18-37-30-29(34-36-37)31(41)38(32(30)42)24-12-10-23(33)11-13-24/h2-16,27,29-30H,17-18H2,1H3InChIKey
XXGZRAPAYYTHPU-UHFFFAOYSA-NSynonyms
494217-93-5494217935
5(4bromophenyl)1(2(5(4methoxyphenyl)3(naphthalen2yl)45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(4BROMOPHENYL)3(2(3(4METHOXYPHENYL)5NAPHTHALEN2YL34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Br)N=N3)C6=CC7=CC=CC=C7C=C6
InChI=1SC32H25BrN6O4c1432514820(91525)271726(227619423521(19)1622)3539(27)28(40)18373029(343637)31(41)38(32(30)42)24121023(33)111324h216272930H1718H21H3
MFCD02608983
ZINC000008454583
ZINC000245241147
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