Vitas-M small molecule compound

1-{2-[(7E)-7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STK305002
SMILES CCc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccc(cc1Cl)Cl)CCC/C/2=C\c1ccc(cc1Cl)Cl

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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 C34H28Cl4N6O3 MW 710.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28Cl4N6O3/c1-2-18-6-11-23(12-7-18)43-33(46)30-32(34(43)47)42(41-39-30)17-28(45)44-31(24-13-10-22(36)16-27(24)38)25-5-3-4-20(29(25)40-44)14-19-8-9-21(35)15-26(19)37/h6-16,25,30-32H,2-5,17H2,1H3/b20-14+
InChIKey
JAZNSUPRIHNSCB-XSFVSMFZSA-N
Synonyms
1025149-58-9
1(2((7E)7(24dichlorobenzylidene)3(24dichlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4ethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025149589
3(2((7E)3(24DICHLOROPHENYL)7((24DICHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(4ETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=C(C=C(C=C6)Cl)Cl)C5=N4)C7=C(C=C(C=C7)Cl)Cl
CCc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccc(cc1Cl)Cl)CCCC2=Cc1ccc(cc1Cl)Cl
InChI=1SC34H28Cl4N6O3c121861123(12718)4333(46)3032(34(43)47)42(413930)1728(45)4431(24131022(36)1627(24)38)2553420(29(25)4044)14198921(35)1526(19)37h616253032H2517H21H3b2014+
MFCD04049524
ZINC000150650681
ZINC000252430768

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Available files

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