Vitas-M small molecule compound
(2Z)-4-[(7E)-7-(4-bromobenzylidene)-3-(4-bromophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxobut-2-enoic acid
Catalog ID
STK889231
SMILES OC(=O)/C=C\C(=O)N1N=C2C(C1c1ccc(cc1)Br)CCC/C/2=C\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 C24H20Br2N2O3 MW 544.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20Br2N2O3/c25-18-8-4-15(5-9-18)14-17-2-1-3-20-23(17)27-28(21(29)12-13-22(30)31)24(20)16-6-10-19(26)11-7-16/h4-14,20,24H,1-3H2,(H,30,31)/b13-12-,17-14+InChIKey
KGKWALGGOBZSHS-XGTYQIHLSA-NSynonyms
(2Z)4((7E)7(4bromobenzylidene)3(4bromophenyl)33a4567hexahydro2Hindazol2yl)4oxobut2enoicacid
(Z)4((7E)3(4bromophenyl)7((4bromophenyl)methylidene)3a456tetrahydro3Hindazol2yl)4oxobut2enoicacid
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Br)C1)C(=O)C=CC(=O)O)C4=CC=C(C=C4)Br
InChI=1SC24H20Br2N2O3c25188415(5918)14172132023(17)2728(21(29)121322(30)31)24(20)1661019(26)11716h4142024H13H2(H3031)b13121714+
MFCD03489624
OC(=O)C=CC(=O)N1N=C2C(C1c1ccc(cc1)Br)CCCC2=Cc1ccc(cc1)Br
ZINC000097965219
ZINC000097965222
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