Vitas-M small molecule compound

3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STK010906
SMILES Clc1ccc2c(c1)C(O)(CC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N2CCc1ccccc1

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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 C28H28ClNO3 MW 461.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO3/c1-27(2,3)21-11-9-20(10-12-21)25(31)18-28(33)23-17-22(29)13-14-24(23)30(26(28)32)16-15-19-7-5-4-6-8-19/h4-14,17,33H,15-16,18H2,1-3H3
InChIKey
CLABMIBKPDPWCL-UHFFFAOYSA-N
Synonyms

3(2(4TERTBUTYLPHENYL)2OXOETHYL)5CHLORO3HYDROXY1(2PHENYLETHYL)13DIHYDRO2HINDOL2ONE
3(2(4tertbutylphenyl)2oxoethyl)5chloro3hydroxy1(2phenylethyl)indol2one
3(2(4TERTBUTYLPHENYL)2OXOETHYL)5CHLORO3HYDROXY1PHENETHYLINDOL2ONE
CC(C)(C)C1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Cl)N(C2=O)CCC4=CC=CC=C4)O
Clc1ccc2c(c1)C(O)(CC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N2CCc1ccccc1
InChI=1SC28H28ClNO3c127(23)2111920(101221)25(31)1828(33)231722(29)131424(23)30(26(28)32)1615197546819h4141733H151618H213H3
MFCD07049162
STK010906
ZINC000012285483
ZINC000012285484

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Available files

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