Vitas-M small molecule compound
5-(3-bromophenyl)-1-{2-[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175893
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)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 C34H31BrN6O5 MW 683.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31BrN6O5/c1-45-25-13-9-20(10-14-25)17-22-5-3-8-27-29(22)37-41(31(27)21-11-15-26(46-2)16-12-21)28(42)19-39-32-30(36-38-39)33(43)40(34(32)44)24-7-4-6-23(35)18-24/h4,6-7,9-18,27,30-32H,3,5,8,19H2,1-2H3/b22-17+InChIKey
DBDDDYUGDPIJEE-OQKWZONESA-NSynonyms
1025255-17-71025255177
5(3bromophenyl)1(2((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3BROMOPHENYL)3(2((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)CN5C6C(C(=O)N(C6=O)C7=CC(=CC=C7)Br)N=N5
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br
InChI=1SC34H31BrN6O5c1452513920(101425)17225382729(22)3741(31(27)21111526(462)161221)28(42)19393230(363839)33(43)40(34(32)44)2474623(35)1824h467918273032H35819H212H3b2217+
MFCD03466853
ZINC000008455000
ZINC000245225684
Check stock
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