Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(cyclohex-3-en-1-yl)-2-oxoethyl]-2-(1H-benzotriazol-1-yl)-N-(4-chlorobenzyl)acetamide
Catalog ID
STL446161
SMILES Clc1ccc(cc1)CN(C(C(=O)Nc1ccc2c(c1)OCO2)C1CCC=CC1)C(=O)Cn1nnc2c1cccc2
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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 C30H28ClN5O4 MW 558.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN5O4/c31-22-12-10-20(11-13-22)17-35(28(37)18-36-25-9-5-4-8-24(25)33-34-36)29(21-6-2-1-3-7-21)30(38)32-23-14-15-26-27(16-23)40-19-39-26/h1-2,4-5,8-16,21,29H,3,6-7,17-19H2,(H,32,38)InChIKey
KMLNXVIHFOKWOS-UHFFFAOYSA-NSynonyms
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(4CHLOROBENZYL)ACETAMIDO)N(BENZO(D)(13)DIOXOL5YL)2(CYCLOHEX3ENYL)ACETAMIDE
C1CC(CC=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CC=C(C=C4)Cl)C(=O)CN5C6=CC=CC=C6N=N5
InChI=1SC30H28ClN5O4c3122121020(111322)1735(28(37)183625954824(25)333436)29(216213721)30(38)322314152627(1623)40193926h12458162129H3671719H2(H3238)
MFCD06244482
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((4CHLOROPHENYL)METHYL)AMINO)2CYCLOHEX3EN1YLACETAMIDE
N(2(13benzodioxol5ylamino)1(cyclohex3en1yl)2oxoethyl)2(1Hbenzotriazol1yl)N(4chlorobenzyl)acetamide
ZINC000001419080
ZINC000001419083
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