Vitas-M small molecule compound

3-(7-chloro-2-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)propanoic acid

Catalog ID
STK504117
SMILES CC1CN(CCC(=O)O)Cc2c(O1)ccc(c2)Cl

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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 C13H16ClNO3 MW 269.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClNO3/c1-9-7-15(5-4-13(16)17)8-10-6-11(14)2-3-12(10)18-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,17)
InChIKey
MDIQVARUQDEDGU-UHFFFAOYSA-N
Synonyms
1119452-95-7
1119452957
3(7chloro2methyl23dihydro14benzoxazepin4(5H)yl)propanoicacid
3(7CHLORO2METHYL23DIHYDROBENZO(F)(14)OXAZEPIN4(5H)YL)PROPANOICACID
3(7CHLORO2METHYL35DIHYDRO2H14BENZOXAZEPIN4YL)PROPANOICACID
CC1CN(CC2=C(O1)C=CC(=C2)Cl)CCC(=O)O
InChI=1SC13H16ClNO3c19715(5413(16)17)810611(14)2312(10)189h2369H4578H21H3(H1617)
MFCD12027269
ZINC000032919487
ZINC000032919489

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Available files

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