Vitas-M small molecule compound
5-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
Catalog ID
STK534656
SMILES OC(=O)CCCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)Br
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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 C20H18BrN3O5 MW 460.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O5/c21-15-9-7-13(8-10-15)17-12-18(14-3-1-4-16(11-14)24(28)29)23(22-17)19(25)5-2-6-20(26)27/h1,3-4,7-11,18H,2,5-6,12H2,(H,26,27)InChIKey
WOIWWAABWKWSQO-UHFFFAOYSA-NSynonyms
5(3(4BROMOPHENYL)5(3NITROPHENYL)(2PYRAZOLINYL))5OXOPENTANOICACID
5(3(4bromophenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)5oxopentanoicacid
5(5(4BROMOPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)5OXOPENTANOICACID
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H18BrN3O5c21159713(81015)171218(1431416(1114)24(28)29)23(2217)19(25)52620(26)27h13471118H25612H2(H2627)
MFCD02998469
OC(=O)CCCC(=O)N1N=C(CC1c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)Br
ZINC000001304083
ZINC000001304084
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