Vitas-M small molecule compound
5-(3-bromophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-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
STL175915
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br)c1ccc(cc1C)C
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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 C30H27BrN6O4 MW 615.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN6O4/c1-17-7-12-23(18(2)13-17)24-15-25(19-8-10-22(41-3)11-9-19)37(33-24)26(38)16-35-28-27(32-34-35)29(39)36(30(28)40)21-6-4-5-20(31)14-21/h4-14,25,27-28H,15-16H2,1-3H3InChIKey
NVFYLAFUQXQLPM-UHFFFAOYSA-NSynonyms
1005111-89-61005111896
5(3bromophenyl)1(2(3(24dimethylphenyl)5(4methoxyphenyl)45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3BROMOPHENYL)3(2(5(24DIMETHYLPHENYL)3(4METHOXYPHENYL)34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC(=CC=C6)Br)N=N4)C
InChI=1SC30H27BrN6O4c11771223(18(2)1317)241525(1981022(413)11919)37(3324)26(38)16352827(323435)29(39)36(30(28)40)2164520(31)1421h414252728H1516H213H3
MFCD03466692
ZINC000008454943
ZINC000245240009
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