Vitas-M small molecule compound
1,1'-bis[2-(4-chlorophenyl)-2-oxoethyl]-6,6',7,7',8,8',9,9'-octahydro-5H,5'H-3,3'-bi[1,2,4]triazolo[4,3-a]azepin-1-ium
Catalog ID
STL059289
SMILES Clc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)c1n[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)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 C30H32Cl2N6O2 MW 579.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32Cl2N6O2/c31-23-13-9-21(10-14-23)25(39)19-37-27-7-3-1-5-17-35(27)29(33-37)30-34-38(28-8-4-2-6-18-36(28)30)20-26(40)22-11-15-24(32)16-12-22/h9-16H,1-8,17-20H2/q+2InChIKey
UBMAVFGOWURFSR-UHFFFAOYSA-NSynonyms
1(4CHLOROPHENYL)2(3(1(2(4CHLOROPHENYL)2OXOETHYL)(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YL))(5H6H7H8H9H124TRIAZOLO(43A)AZAPERHYDROEPINYL))ETHAN1ONE
1(4chlorophenyl)2(3(1(2(4chlorophenyl)2oxoethyl)6789tetrahydro5H(124)triazolo(43a)azepin4ium3yl)6789tetrahydro5H(124)triazolo(43a)azepin4ium1yl)ethanone
11bis(2(4chlorophenyl)2oxoethyl)66778899octahydro5H5H33bi(124)triazolo(43a)azepin1ium
C1CCC2=(N+)(CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Cl)C4=NN(C5=(N+)4CCCCC5)CC(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C(=O)C(n+)1nc(n2c1CCCCC2)c1n(n+)(c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl
InChI=1SC30H32Cl2N6O2c312313921(101423)25(39)19372773151735(27)29(3337)303438(2884261836(28)30)2026(40)22111524(32)161222h916H181720H2q+2
ZINC000002588864
ZINC2588864
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