Vitas-M small molecule compound

methyl 4-[(2E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Catalog ID
STK882938
SMILES COC(=O)C1Oc2ccccc2N(C1)C(=O)/C=C/c1ccccc1

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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 C19H17NO4 MW 323.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO4/c1-23-19(22)17-13-20(15-9-5-6-10-16(15)24-17)18(21)12-11-14-7-3-2-4-8-14/h2-12,17H,13H2,1H3/b12-11+
InChIKey
OXBDKEFUKGXBIL-VAWYXSNFSA-N
Synonyms

COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C=CC3=CC=CC=C3
COC(=O)C1Oc2ccccc2N(C1)C(=O)C=Cc1ccccc1
InChI=1SC19H17NO4c12319(22)171320(159561016(15)2417)18(21)1211147324814h21217H13H21H3b1211+
methyl4((2E)3phenylprop2enoyl)34dihydro2H14benzoxazine2carboxylate
methyl4((E)3phenylprop2enoyl)23dihydro14benzoxazine2carboxylate
MFCD06646546
ZINC000016750058
ZINC000016750060

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Available files

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