Vitas-M small molecule compound

methyl N-[(4-methylcyclohexyl)carbonyl]tryptophylvalinate

Catalog ID
STK248820
SMILES COC(=O)C(C(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCC(CC1)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 C25H35N3O4 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O4/c1-15(2)22(25(31)32-4)28-24(30)21(27-23(29)17-11-9-16(3)10-12-17)13-18-14-26-20-8-6-5-7-19(18)20/h5-8,14-17,21-22,26H,9-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKey
GCZYFZQCYPLXBI-UHFFFAOYSA-N
Synonyms

CC1CCC(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)C)C(=O)OC
COC(=O)C(C(C)C)NC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)C1CCC(CC1)C
InChI=1SC25H35N3O4c115(2)22(25(31)324)2824(30)21(2723(29)1711916(3)101217)1318142620865719(18)20h581417212226H913H214H3(H2729)(H2830)
methyl2((3(1Hindol3yl)2((4methylcyclohexanecarbonyl)amino)propanoyl)amino)3methylbutanoate
methylN((4methylcyclohexyl)carbonyl)tryptophylvalinate
MFCD08685583
ZINC000009668178
ZINC000009694432

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Available files

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