Vitas-M small molecule compound
1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK768983
SMILES Clc1ccc(cc1)N(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1nnc2n1CCCCC2
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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 C21H20Cl3N5O MW 464.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl3N5O/c22-14-5-8-16(9-6-14)29(21(30)25-15-7-10-17(23)18(24)12-15)13-20-27-26-19-4-2-1-3-11-28(19)20/h5-10,12H,1-4,11,13H2,(H,25,30)InChIKey
LBVYHFOFQQNAAI-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)3(34dichlorophenyl)1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
C1CCC2=NN=C(N2CC1)CN(C3=CC=C(C=C3)Cl)C(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H20Cl3N5Oc22145816(9614)29(21(30)251571017(23)18(24)1215)132027261942131128(19)20h51012H141113H2(H2530)
MFCD03408240
ZINC000000720350
ZINC00720350
ZINC720350
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