Vitas-M small molecule compound

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

Catalog ID
STL389775
SMILES O=C(C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)NCCC1=CCCCC1

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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 C19H25ClN2O4S MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25ClN2O4S/c1-27(24,25)22-12-10-18(26-17-8-7-15(20)13-16(17)22)19(23)21-11-9-14-5-3-2-4-6-14/h5,7-8,13,18H,2-4,6,9-12H2,1H3,(H,21,23)
InChIKey
PYUUXGPMWAIKAR-UHFFFAOYSA-N
Synonyms

7chloroN(2(cyclohex1en1yl)ethyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2(cyclohexen1yl)ethyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CCCCC3
InChI=1SC19H25ClN2O4Sc127(2425)22121018(26178715(20)1316(17)22)19(23)21119145324614h5781318H246912H21H3(H2123)
MFCD13986389
ZINC000038852471
ZINC000038852473

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Available files

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