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-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Catalog ID
STK305749
SMILES Cc1ccc(o1)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 C29H30BrN5O5 MW 608.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN5O5/c1-17-6-7-25(40-17)22-9-23(20-4-2-3-5-24(20)36)34(31-22)26(37)14-28-10-18-8-19(11-28)13-29(12-18,16-28)33-15-21(30)27(32-33)35(38)39/h2-7,15,18-19,23,36H,8-14,16H2,1H3/t18?,19?,23?,28-,29?InChIKey
ZUEUMNFVVPMPMB-OXIAYIBPSA-NSynonyms
1024304-12-81024304128
2(3(4bromo3nitro1Hpyrazol1yl)tricyclo(3311~37~)dec1yl)1(5(2hydroxyphenyl)3(5methylfuran2yl)45dihydro1Hpyrazol1yl)ethanone
Cc1ccc(o1)C1=NN(C(C1)c1ccccc1O)C(=O)C(C@)12CC3CC(C1)CC(C2)(C3)n1nc(c(c1)Br)(N+)(=O)(O)
MFCD04045586
ZINC000097948859
ZINC000097948860
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