Vitas-M small molecule compound

di-tert-butyl 2-(4-chlorophenyl)-4-{[3-(dimethylamino)propyl]amino}-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate

Catalog ID
STK694174
SMILES CN(CCCNC1=C(C(=O)OC(C)(C)C)C(C(C(C1)(C)O)C(=O)OC(C)(C)C)c1ccc(cc1)Cl)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 C28H43ClN2O5 MW 523.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43ClN2O5/c1-26(2,3)35-24(32)22-20(30-15-10-16-31(8)9)17-28(7,34)23(25(33)36-27(4,5)6)21(22)18-11-13-19(29)14-12-18/h11-14,21,23,30,34H,10,15-17H2,1-9H3
InChIKey
HYLLWXCSKVAJES-UHFFFAOYSA-N
Synonyms

CC1(CC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)NCCCN(C)C)O
DITERTBUTYL2(4CHLOROPHENYL)4((3(DIMETHYLAMINO)PROPYL)AMINO)6HYDROXY6METHYLCYCLOHEX3ENE13DICARBOXYLATE
ditertbutyl2(4chlorophenyl)4(3(dimethylamino)propylamino)6hydroxy6methylcyclohex3ene13dicarboxylate
InChI=1SC28H43ClN2O5c126(23)3524(32)2220(3015101631(8)9)1728(734)23(25(33)3627(45)6)21(22)18111319(29)141218h111421233034H101517H219H3
MFCD12034407
ZINC000035323678
ZINC000251136145

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Available files

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