Vitas-M small molecule compound

6-tert-butyl-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

Catalog ID
STL364443
SMILES O=C1COc2c(N1Cc1cc3OCOc3cc1Cl)cc(cc2)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 C20H20ClNO4 MW 373.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClNO4/c1-20(2,3)13-4-5-16-15(7-13)22(19(23)10-24-16)9-12-6-17-18(8-14(12)21)26-11-25-17/h4-8H,9-11H2,1-3H3
InChIKey
TWHMPUNJIREFTK-UHFFFAOYSA-N
Synonyms

6tertbutyl4((6chloro13benzodioxol5yl)methyl)14benzoxazin3one
6tertbutyl4((6chloro13benzodioxol5yl)methyl)2H14benzoxazin3(4H)one
CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC4=C(C=C3Cl)OCO4
InChI=1SC20H20ClNO4c120(23)13451615(713)22(19(23)102416)91261718(814(12)21)26112517h48H911H213H3
MFCD07437697
ZINC000008411866
ZINC08411866
ZINC8411866

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Available files

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