Vitas-M small molecule compound

5,7-di-tert-butyl-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole

Catalog ID
STK760895
SMILES COc1cc(ccc1OC)C1Nc2c(O1)c(cc(c2)C(C)(C)C)C(C)(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 C23H31NO3 MW 369.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO3/c1-22(2,3)15-12-16(23(4,5)6)20-17(13-15)24-21(27-20)14-9-10-18(25-7)19(11-14)26-8/h9-13,21,24H,1-8H3
InChIKey
QHHZVSLTCBZIMQ-UHFFFAOYSA-N
Synonyms

(2R)57DITERTBUTYL2(34DIMETHOXYPHENYL)23DIHYDRO13BENZOXAZOLE
57ditertbutyl2(34dimethoxyphenyl)23dihydro13benzoxazole
57DITERTBUTYL2(34DIMETHOXYPHENYL)23DIHYDROBENZOOXAZOLE
CC(C)(C)C1=CC(=C2C(=C1)NC(O2)C3=CC(=C(C=C3)OC)OC)C(C)(C)C
InChI=1SC23H31NO3c122(23)151216(23(45)6)2017(1315)2421(2720)1491018(257)19(1114)268h9132124H18H3
MFCD01816280
ZINC000002185987
ZINC000002185988

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.