Vitas-M small molecule compound

diethyl 3,3'-[(4-methylbenzene-1,3-diyl)diimino]bis(2-cyclohexyl-3-oxopropanoate)

Catalog ID
STK096638
SMILES CCOC(=O)C(C(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)OCC)C1CCCCC1)C)C1CCCCC1

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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 C29H42N2O6 MW 514.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42N2O6/c1-4-36-28(34)24(20-12-8-6-9-13-20)26(32)30-22-17-16-19(3)23(18-22)31-27(33)25(29(35)37-5-2)21-14-10-7-11-15-21/h16-18,20-21,24-25H,4-15H2,1-3H3,(H,30,32)(H,31,33)
InChIKey
WQHVTQAVBIFUFW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)OCC)C1CCCCC1)C)C1CCCCC1
CCOC(=O)C(C1CCCCC1)C(=O)NC2=CC(=C(C=C2)C)NC(=O)C(C3CCCCC3)C(=O)OCC
DIETHYL33((4METHYLBENZENE13DIYL)DIIMINO)BIS(2CYCLOHEXYL3OXOPROPANOATE)
ETHYL2CYCLOHEXYL2(N(5(2CYCLOHEXYL2(ETHOXYCARBONYL)ACETYLAMINO)2METHYLPHENYL)CARBAMOYL)ACETATE
ETHYL2CYCLOHEXYL3(3((2CYCLOHEXYL3ETHOXY3OXOPROPANOYL)AMINO)4METHYLANILINO)3OXOPROPANOATE
InChI=1SC29H42N2O6c143628(34)24(20128691320)26(32)3022171619(3)23(1822)3127(33)25(29(35)3752)2114107111521h161820212425H415H213H3(H3032)(H3133)
MFCD00732912
STK096638
ZINC000008856199
ZINC000008955627

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Available files

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