Vitas-M small molecule compound
7-methyl-5-(methylsulfonyl)-N-[2-(prop-2-en-1-ylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386209
SMILES C=CCNC(=O)c1ccccc1NC(=O)C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-4-12-23-21(26)16-7-5-6-8-17(16)24-22(27)20-11-13-25(31(3,28)29)18-14-15(2)9-10-19(18)30-20/h4-10,14,20H,1,11-13H2,2-3H3,(H,23,26)(H,24,27)InChIKey
OXKWBXBSDQTPKR-UHFFFAOYSA-NSynonyms
7methyl5(methylsulfonyl)N(2(prop2en1ylcarbamoyl)phenyl)2345tetrahydro15benzoxazepine2carboxamide
7methyl5methylsulfonylN(2(prop2enylcarbamoyl)phenyl)34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC=CC=C3C(=O)NCC=C
InChI=1SC22H25N3O5Sc14122321(26)16756817(16)2422(27)20111325(31(328)29)181415(2)91019(18)3020h4101420H11113H223H3(H2326)(H2427)
MFCD27225321
ZINC000064988643
ZINC000064988644
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