Vitas-M small molecule compound

N-[3-(1H-imidazol-1-yl)propyl]-N~2~-[(2-{[(4-methoxyphenyl)carbonyl]amino}phenyl)carbonyl]isoleucinamide

Catalog ID
STK860343
SMILES CCC(C(C(=O)NCCCn1cncc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)OC)C

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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 C27H33N5O4 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O4/c1-4-19(2)24(27(35)29-14-7-16-32-17-15-28-18-32)31-26(34)22-8-5-6-9-23(22)30-25(33)20-10-12-21(36-3)13-11-20/h5-6,8-13,15,17-19,24H,4,7,14,16H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)
InChIKey
NMXUQHOCEWMMMB-UHFFFAOYSA-N
Synonyms
1033587-36-8
1033587368
CCC(C)C(C(=O)NCCCN1C=CN=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC
InChI=1SC27H33N5O4c1419(2)24(27(35)2914716321715281832)3126(34)22856923(22)3025(33)20101221(363)131120h5681315171924H471416H213H3(H2935)(H3033)(H3134)
MFCD03312672
N(1((3(1Himidazol1yl)propyl)amino)3methyl1oxopentan2yl)2(4methoxybenzamido)benzamide
N(1(3IMIDAZOL1YLPROPYLAMINO)3METHYL1OXOPENTAN2YL)2((4METHOXYBENZOYL)AMINO)BENZAMIDE
N(3(1Himidazol1yl)propyl)N~2~((2(((4methoxyphenyl)carbonyl)amino)phenyl)carbonyl)isoleucinamide
N(3(1HIMIDAZOL1YL)PROPYL)N2((2(((4METHOXYPHENYL)CARBONYL)AMINO)PHENYL)CARBONYL)ISOLEUCINAMIDE
ZINC000008816957
ZINC000008816960

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.