Vitas-M small molecule compound

7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

Catalog ID
STL389720
SMILES COc1cc(CCNC(=O)C2CCN(c3c(O2)ccc(c3)Cl)S(=O)(=O)C)ccc1OC

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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 C21H25ClN2O6S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O6S/c1-28-18-6-4-14(12-20(18)29-2)8-10-23-21(25)19-9-11-24(31(3,26)27)16-13-15(22)5-7-17(16)30-19/h4-7,12-13,19H,8-11H2,1-3H3,(H,23,25)
InChIKey
XYIUEHVDSSQWIV-UHFFFAOYSA-N
Synonyms

7chloroN(2(34dimethoxyphenyl)ethyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2(34dimethoxyphenyl)ethyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
COC1=C(C=C(C=C1)CCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC
InChI=1SC21H25ClN2O6Sc128186414(1220(18)292)8102321(25)1991124(31(326)27)161315(22)5717(16)3019h47121319H811H213H3(H2325)
MFCD13984775
ZINC000038849011
ZINC000038849012

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Available files

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