Vitas-M small molecule compound

(2E,2'E)-N,N'-(methanediyldicyclohexane-4,1-diyl)bis{3-[4-(propan-2-yl)phenyl]prop-2-enamide}

Catalog ID
STK420399
SMILES CC(c1ccc(cc1)/C=C/C(=O)NC1CCC(CC1)CC1CCC(CC1)NC(=O)/C=C/c1ccc(cc1)C(C)C)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 C37H50N2O2 MW 554.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H50N2O2/c1-26(2)32-15-5-28(6-16-32)13-23-36(40)38-34-19-9-30(10-20-34)25-31-11-21-35(22-12-31)39-37(41)24-14-29-7-17-33(18-8-29)27(3)4/h5-8,13-18,23-24,26-27,30-31,34-35H,9-12,19-22,25H2,1-4H3,(H,38,40)(H,39,41)/b23-13+,24-14+
InChIKey
CCWYXGRIBPGPNI-RNIAWFEPSA-N
Synonyms

(2E)N(4((4((2E)3(4(METHYLETHYL)PHENYL)PROP2ENOYLAMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)3(4(METHYLETHYL)PHENYL)PROP2ENAMIDE
(2E2E)NN(methanediyldicyclohexane41diyl)bis(3(4(propan2yl)phenyl)prop2enamide)
(E)3(4PROPAN2YLPHENYL)N(4((4(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)AMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)PROP2ENAMIDE
CC(C)C1=CC=C(C=C1)C=CC(=O)NC2CCC(CC2)CC3CCC(CC3)NC(=O)C=CC4=CC=C(C=C4)C(C)C
CC(c1ccc(cc1)C=CC(=O)NC1CCC(CC1)CC1CCC(CC1)NC(=O)C=Cc1ccc(cc1)C(C)C)C
InChI=1SC37H50N2O2c126(2)3215528(61632)132336(40)383419930(102034)2531112135(221231)3937(41)24142971733(18829)27(3)4h5813182324262730313435H912192225H214H3(H3840)(H3941)b2313+2414+
MFCD02334689
ZINC000102217170
ZINC102217170

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Available files

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