Vitas-M small molecule compound
2-[3-(4-bromo-3-nitro-1H-pyrazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-1-[5-(2-hydroxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Catalog ID
STK305785
SMILES COc1cccc(c1)C1=NN(C(C1)c1ccccc1O)C(=O)C[C@]12CC3CC(C1)CC(C2)(C3)n1nc(c(c1)Br)[N+](=O)[O-]
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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 C31H32BrN5O5 MW 634.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32BrN5O5/c1-42-22-6-4-5-21(10-22)25-11-26(23-7-2-3-8-27(23)38)36(33-25)28(39)16-30-12-19-9-20(13-30)15-31(14-19,18-30)35-17-24(32)29(34-35)37(40)41/h2-8,10,17,19-20,26,38H,9,11-16,18H2,1H3/t19?,20?,26?,30-,31?InChIKey
HLMADTLTDJWMKC-VAWIQKSXSA-NSynonyms
1024304-24-21024304242
2(3(4bromo3nitro1Hpyrazol1yl)tricyclo(3311~37~)dec1yl)1(5(2hydroxyphenyl)3(3methoxyphenyl)45dihydro1Hpyrazol1yl)ethanone
COc1cccc(c1)C1=NN(C(C1)c1ccccc1O)C(=O)C(C@)12CC3CC(C1)CC(C2)(C3)n1nc(c(c1)Br)(N+)(=O)(O)
MFCD04045584
ZINC000097949040
ZINC000097949041
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