Vitas-M small molecule compound
1-(4-ethoxyphenyl)-3-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Catalog ID
STK780957
SMILES CCOc1ccc(cc1)N(C(=O)Nc1cccc(c1)C)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 C24H29N5O2 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O2/c1-3-31-21-13-11-20(12-14-21)29(24(30)25-19-9-7-8-18(2)16-19)17-23-27-26-22-10-5-4-6-15-28(22)23/h7-9,11-14,16H,3-6,10,15,17H2,1-2H3,(H,25,30)InChIKey
IAAVTFSUMJGFOO-UHFFFAOYSA-NSynonyms
727684-05-11(4ethoxyphenyl)3(3methylphenyl)1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
727684051
CCOC1=CC=C(C=C1)N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=CC(=C4)C
InChI=1SC24H29N5O2c133121131120(121421)29(24(30)251997818(2)1619)1723272622105461528(22)23h79111416H36101517H212H3(H2530)
MFCD06014078
N(4ETHOXYPHENYL)((3METHYLPHENYL)AMINO)N(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLMETHYL)CARBOXAMIDE
ZINC000001432450
ZINC01432450
ZINC1432450
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