Vitas-M small molecule compound

2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK097786
SMILES O=C1CC(C)(C)CC(=O)C1C(c1c[nH]c2c1cccc2)C1=C(O)CC(CC1=O)(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 C25H29NO4 MW 407.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO4/c1-24(2)9-17(27)22(18(28)10-24)21(15-13-26-16-8-6-5-7-14(15)16)23-19(29)11-25(3,4)12-20(23)30/h5-8,13,21-22,26,29H,9-12H2,1-4H3
InChIKey
KNRNFKZXBSEZBT-UHFFFAOYSA-N
Synonyms

2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(1HINDOL3YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(1HINDOL3YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)INDOL3YLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CNC3=CC=CC=C32)C4=C(CC(CC4=O)(C)C)O)C
InChI=1SC25H29NO4c124(2)917(27)22(18(28)1024)21(15132616865714(15)16)2319(29)1125(34)1220(23)30h581321222629H912H214H3
MFCD01047108
O=C1CC(C)(C)CC(=O)C1C(c1c(nH)c2c1cccc2)C1=C(O)CC(CC1=O)(C)C
STK097786
ZINC000100004666
ZINC000100004668

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Available files

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