Vitas-M small molecule compound
1,3-bis(4-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK533252
SMILES Clc1ccc(cc1)N(C(=O)Nc1ccc(cc1)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 C21H21Cl2N5O MW 430.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O/c22-15-5-9-17(10-6-15)24-21(29)28(18-11-7-16(23)8-12-18)14-20-26-25-19-4-2-1-3-13-27(19)20/h5-12H,1-4,13-14H2,(H,24,29)InChIKey
AFWZILCRDPFVFI-UHFFFAOYSA-NSynonyms
13bis(4chlorophenyl)1((6789tetrahydro5H(124)triazolo(43a)azepin3yl)methyl)urea
13bis(4chlorophenyl)1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
13BIS(4CHLOROPHENYL)3(5H6H7H8H9H(124)TRIAZOLO(34A)AZEPIN3YLMETHYL)UREA
C1CCC2=NN=C(N2CC1)CN(C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC21H21Cl2N5Oc22155917(10615)2421(29)28(1811716(23)81218)142026251942131327(19)20h512H141314H2(H2429)
MFCD02985495
N(4CHLOROPHENYL)((4CHLOROPHENYL)AMINO)N(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLMETHYL)CARBOXAMIDE
ZINC000003772531
ZINC03772531
ZINC3772531
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