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-(naphthalen-1-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305127
SMILES Clc1ccc(c(c1)Cl)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
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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 C36H26Cl4N6O3 MW 732.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H26Cl4N6O3/c37-22-12-11-20(27(39)16-22)15-21-7-3-9-26-31(21)42-46(33(26)25-14-13-23(38)17-28(25)40)30(47)18-44-34-32(41-43-44)35(48)45(36(34)49)29-10-4-6-19-5-1-2-8-24(19)29/h1-2,4-6,8,10-17,26,32-34H,3,7,9,18H2/b21-15+InChIKey
LZSGZGAFZWGYAC-RCCKNPSSSA-NSynonyms
1025294-74-91(2((7E)7(24dichlorobenzylidene)3(24dichlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(naphthalen1yl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025294749
3(2((7E)3(24DICHLOROPHENYL)7((24DICHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5NAPHTHALEN1YL3A6ADIHYDROPYRROLO(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=CC7=CC=CC=C76)N=N4)C8=C(C=C(C=C8)Cl)Cl
Clc1ccc(c(c1)Cl)C1N(N=C2C1CCCC2=Cc1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
InChI=1SC36H26Cl4N6O3c3722121120(27(39)1622)15217392631(21)4246(33(26)25141323(38)1728(25)40)30(47)18443432(414344)35(48)45(36(34)49)29104619512824(19)29h124681017263234H37918H2b2115+
MFCD04049525
ZINC000150650683
ZINC000252430821
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