Vitas-M small molecule compound

9-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK199626
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=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 C31H33ClO5 MW 521.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClO5/c1-30(2)13-21(33)28-25(15-30)37-26-16-31(3,4)14-22(34)29(26)27(28)19-8-11-23(24(12-19)35-5)36-17-18-6-9-20(32)10-7-18/h6-12,27H,13-17H2,1-5H3
InChIKey
HXROMLSWMVVZJS-UHFFFAOYSA-N
Synonyms

9(4((4chlorobenzyl)oxy)3methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((4chlorophenyl)methoxy)3methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC)C(=O)C1)C
InChI=1SC31H33ClO5c130(2)1321(33)2825(1530)37261631(34)1422(34)29(26)27(28)1981123(24(1219)355)3617186920(32)10718h61227H1317H215H3
MFCD00621097
ZINC000002069087
ZINC02069087
ZINC2069087

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Available files

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