Vitas-M small molecule compound
3-(3,4-dichlorophenyl)-1-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK679052
SMILES Cc1ccc(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 C22H23Cl2N5O MW 444.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N5O/c1-15-6-9-17(10-7-15)29(22(30)25-16-8-11-18(23)19(24)13-16)14-21-27-26-20-5-3-2-4-12-28(20)21/h6-11,13H,2-5,12,14H2,1H3,(H,25,30)InChIKey
MWKNJOGEZNECEE-UHFFFAOYSA-NSynonyms
((34DICHLOROPHENYL)AMINO)N(4METHYLPHENYL)N(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLMETHYL)CARBOXAMIDE
3(34dichlorophenyl)1(4methylphenyl)1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
CC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI=1SC22H23Cl2N5Oc1156917(10715)29(22(30)251681118(23)19(24)1316)142127262053241228(20)21h61113H251214H21H3(H2530)
MFCD03408273
ZINC000001050113
ZINC01050113
ZINC1050113
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