Vitas-M small molecule compound

5-(3-bromophenyl)-1-{2-[(7E)-7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-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
STK305041
SMILES Clc1ccc(c(c1)Cl)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1Cl)Cl)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 C32H23BrCl4N6O3 MW 761.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23BrCl4N6O3/c33-18-4-2-5-21(12-18)42-31(45)28-30(32(42)46)41(40-38-28)15-26(44)43-29(22-10-9-20(35)14-25(22)37)23-6-1-3-17(27(23)39-43)11-16-7-8-19(34)13-24(16)36/h2,4-5,7-14,23,28-30H,1,3,6,15H2/b17-11+
InChIKey
UULLKHIDTKCQAW-GZTJUZNOSA-N
Synonyms
1024892-10-1
1024892101
5(3bromophenyl)1(2((7E)7(24dichlorobenzylidene)3(24dichlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3BROMOPHENYL)3(2((7E)3(24DICHLOROPHENYL)7((24DICHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1CC2C(N(N=C2C(=CC3=C(C=C(C=C3)Cl)Cl)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC(=CC=C6)Br)N=N4)C7=C(C=C(C=C7)Cl)Cl
Clc1ccc(c(c1)Cl)C1N(N=C2C1CCCC2=Cc1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br
InChI=1SC32H23BrCl4N6O3c331842521(1218)4231(45)2830(32(42)46)41(403828)1526(44)4329(2210920(35)1425(22)37)2361317(27(23)3943)11167819(34)1324(16)36h245714232830H13615H2b1711+
MFCD04049521
ZINC000150650667
ZINC000252430941

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Available files

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