Vitas-M small molecule compound

4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenyl benzoate

Catalog ID
STK150147
SMILES O=C(c1ccccc1)Oc1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)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 C30H32O6 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32O6/c1-29(2)14-21(31)26(22(32)15-29)25(27-23(33)16-30(3,4)17-24(27)34)18-10-12-20(13-11-18)36-28(35)19-8-6-5-7-9-19/h5-13,25,31,33H,14-17H2,1-4H3
InChIKey
BUUMXBOUMWXULV-UHFFFAOYSA-N
Synonyms

(4(BIS(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)PHENYL)BENZOATE
4(BIS(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)PHENYLBENZOATE
CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C
InChI=1SC30H32O6c129(2)1421(31)26(22(32)1529)25(2723(33)1630(34)1724(27)34)18101220(131118)3628(35)198657919h513253133H1417H214H3
MFCD03719648
ZINC000101305373
ZINC101305373

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Available files

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