Vitas-M small molecule compound

4-iodophenyl 3,5-di-tert-butylcyclohexanecarboxylate

Catalog ID
STK009492
SMILES O=C(C1CC(CC(C1)C(C)(C)C)C(C)(C)C)Oc1ccc(cc1)I

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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 C21H31IO2 MW 442.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31IO2/c1-20(2,3)15-11-14(12-16(13-15)21(4,5)6)19(23)24-18-9-7-17(22)8-10-18/h7-10,14-16H,11-13H2,1-6H3
InChIKey
PGRQESGPGKWUSM-UHFFFAOYSA-N
Synonyms

(4IODOPHENYL)35DITERTBUTYLCYCLOHEXANE1CARBOXYLATE
4IODOPHENYL35DITERTBUTYLCYCLOHEXANECARBOXYLATE
CC(C)(C)C1CC(CC(C1)C(C)(C)C)C(=O)OC2=CC=C(C=C2)I
InChI=1SC21H31IO2c120(23)151114(1216(1315)21(45)6)19(23)24189717(22)81018h7101416H1113H216H3
MFCD01246491
O=C(C1CC(CC(C1)C(C)(C)C)C(C)(C)C)Oc1ccc(cc1)I
STK009492
ZINC000004426813
ZINC000239174098

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Available files

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