Vitas-M small molecule compound

methyl 4-[(4-tert-butylphenyl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Catalog ID
STK515414
SMILES COC(=O)C1Oc2ccccc2N(C1)C(=O)c1ccc(cc1)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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-21(2,3)15-11-9-14(10-12-15)19(23)22-13-18(20(24)25-4)26-17-8-6-5-7-16(17)22/h5-12,18H,13H2,1-4H3
InChIKey
KGRYOKKEZLDLQU-UHFFFAOYSA-N
Synonyms
879947-69-0
879947690
CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)OC
InChI=1SC21H23NO4c121(23)1511914(101215)19(23)221318(20(24)254)2617865716(17)22h51218H13H214H3
methyl4((4tertbutylphenyl)carbonyl)34dihydro2H14benzoxazine2carboxylate
methyl4(4tertbutylbenzoyl)23dihydro14benzoxazine2carboxylate
MFCD06645243
ZINC000006810814
ZINC000006810815

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Available files

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