Vitas-M small molecule compound
1-{2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(2,6-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK301990
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
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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 C34H30Cl2N6O3 MW 641.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30Cl2N6O3/c1-19-5-3-6-20(2)30(19)41-33(44)29-32(34(41)45)40(39-37-29)18-27(43)42-31(22-11-15-25(36)16-12-22)26-8-4-7-23(28(26)38-42)17-21-9-13-24(35)14-10-21/h3,5-6,9-17,26,29,31-32H,4,7-8,18H2,1-2H3/b23-17+InChIKey
LDWDFHQKHFRKGA-HAVVHWLPSA-NSynonyms
1025581-07-01(2((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(26dimethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025581070
3(2((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(26DIMETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=C(C(=CC=C1)C)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=CC=C(C=C6)Cl)C5=N4)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
InChI=1SC34H30Cl2N6O3c11953620(2)30(19)4133(44)2932(34(41)45)40(393729)1827(43)4231(22111525(36)161222)2684723(28(26)3842)172191324(35)141021h35691726293132H47818H212H3b2317+
MFCD03466664
ZINC000150660982
ZINC000245239622
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