Vitas-M small molecule compound
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-methylbenzenesulfonate
Catalog ID
STK841892
SMILES Cc1ccc(cc1)S(=O)(=O)OC1=C(C)C(=O)OC(C1(C)C)c1ccc(cc1)Br
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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 C21H21BrO5S MW 465.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrO5S/c1-13-5-11-17(12-6-13)28(24,25)27-18-14(2)20(23)26-19(21(18,3)4)15-7-9-16(22)10-8-15/h5-12,19H,1-4H3InChIKey
IKPXAUIVECDOFG-UHFFFAOYSA-NSynonyms
433697-50-8(2(4BROMOPHENYL)335TRIMETHYL6OXO2HPYRAN4YL)4METHYLBENZENESULFONATE
2(4bromophenyl)335trimethyl6oxo36dihydro2Hpyran4yl4methylbenzenesulfonate
433697508
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC(C2(C)C)C3=CC=C(C=C3)Br)C
InChI=1SC21H21BrO5Sc11351117(12613)28(2425)271814(2)20(23)2619(21(183)4)157916(22)10815h51219H14H3
ZINC000002321445
ZINC000002321446
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