Vitas-M small molecule compound
1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168527
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)F)F)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 C28H19F5N6O4 MW 598.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19F5N6O4/c1-43-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)35-39(17)18(40)12-37-26-24(34-36-37)27(41)38(28(26)42)25-22(32)20(30)19(29)21(31)23(25)33/h2-10,17,24,26H,11-12H2,1H3InChIKey
ZZNPIEREKWRSKP-UHFFFAOYSA-NSynonyms
1005251-32-01(2(5(4methoxyphenyl)3phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(pentafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1005251320
3(2(3(4methoxyphenyl)5phenyl34dihydropyrazol2yl)2oxoethyl)5(23456pentafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C(=C(C(=C5F)F)F)F)F)N=N3)C6=CC=CC=C6
InChI=1SC28H19F5N6O4c143159714(81015)171116(135324613)3539(17)18(40)12372624(343637)27(41)38(28(26)42)2522(32)20(30)19(29)21(31)23(25)33h210172426H1112H21H3
MFCD03465227
ZINC000008455178
ZINC000245241308
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