Vitas-M small molecule compound

(2E)-3-(2-chloro-6-fluorophenyl)-N-[3-({[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]prop-2-enamide

Catalog ID
STK447850
SMILES O=C(NCC1(C)CC(NC(=O)/C=C/c2c(F)cccc2Cl)CC(C1)(C)C)/C=C/c1c(F)cccc1Cl

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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 C28H30Cl2F2N2O2 MW 535.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30Cl2F2N2O2/c1-27(2)14-18(34-26(36)13-11-20-22(30)7-5-9-24(20)32)15-28(3,16-27)17-33-25(35)12-10-19-21(29)6-4-8-23(19)31/h4-13,18H,14-17H2,1-3H3,(H,33,35)(H,34,36)/b12-10+,13-11+
InChIKey
TUAKNSMVYFFYSY-DCIPZJNNSA-N
Synonyms

(2E)3(2chloro6fluorophenyl)N(3((((2E)3(2chloro6fluorophenyl)prop2enoyl)amino)methyl)355trimethylcyclohexyl)prop2enamide
(2E)N(5(((2E)3(2CHLORO6FLUOROPHENYL)PROP2ENOYLAMINO)METHYL)335TRIMETHYLCYCLOHEXYL)3(2CHLORO6FLUOROPHENYL)PROP2ENAMIDE
(E)3(2CHLORO6FLUOROPHENYL)N((5(((E)3(2CHLORO6FLUOROPHENYL)PROP2ENOYL)AMINO)133TRIMETHYLCYCLOHEXYL)METHYL)PROP2ENAMIDE
CC1(CC(CC(C1)(C)CNC(=O)C=CC2=C(C=CC=C2Cl)F)NC(=O)C=CC3=C(C=CC=C3Cl)F)C
InChI=1SC28H30Cl2F2N2O2c127(2)1418(3426(36)13112022(30)75924(20)32)1528(31627)173325(35)12101921(29)64823(19)31h41318H1417H213H3(H3335)(H3436)b1210+1311+
MFCD03401581
O=C(NCC1(C)CC(NC(=O)C=Cc2c(F)cccc2Cl)CC(C1)(C)C)C=Cc1c(F)cccc1Cl
ZINC000097965657
ZINC000097965660

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Available files

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