Vitas-M small molecule compound
1-(4-chlorophenyl)-3-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK968642
SMILES Clc1ccc(cc1)N(C(=O)Nc1ccccc1)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 C21H22ClN5O MW 395.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O/c22-16-10-12-18(13-11-16)27(21(28)23-17-7-3-1-4-8-17)15-20-25-24-19-9-5-2-6-14-26(19)20/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,23,28)InChIKey
JLHCSWXLGLDDKF-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)3phenyl1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
C1CCC2=NN=C(N2CC1)CN(C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4
InChI=1SC21H22ClN5Oc2216101218(131116)27(21(28)23177314817)152025241995261426(19)20h134781013H25691415H2(H2328)
MFCD02660294
N(4CHLOROPHENYL)(PHENYLAMINO)N(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLMETHYL)CARBOXAMIDE
ZINC000000622861
ZINC00622861
ZINC622861
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