Vitas-M small molecule compound
di-tert-butyl 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-[(2-phenylethyl)amino]cyclohex-3-ene-1,3-dicarboxylate
Catalog ID
STK690518
SMILES O=C(C1C(c2ccc(cc2)Cl)C(=C(CC1(C)O)NCCc1ccccc1)C(=O)OC(C)(C)C)OC(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 C31H40ClNO5 MW 542.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40ClNO5/c1-29(2,3)37-27(34)25-23(33-18-17-20-11-9-8-10-12-20)19-31(7,36)26(28(35)38-30(4,5)6)24(25)21-13-15-22(32)16-14-21/h8-16,24,26,33,36H,17-19H2,1-7H3InChIKey
QFKUHUDGCQIAIR-UHFFFAOYSA-NSynonyms
CC1(CC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)NCCC3=CC=CC=C3)O
DITERTBUTYL2(4CHLOROPHENYL)6HYDROXY6METHYL4((2PHENYLETHYL)AMINO)CYCLOHEX3ENE13DICARBOXYLATE
ditertbutyl2(4chlorophenyl)6hydroxy6methyl4(2phenylethylamino)cyclohex3ene13dicarboxylate
InChI=1SC31H40ClNO5c129(23)3727(34)2523(331817201198101220)1931(736)26(28(35)3830(45)6)24(25)21131522(32)161421h81624263336H1719H217H3
MFCD09063737
ZINC000100227687
ZINC000252430890
Check stock
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