Vitas-M small molecule compound
N-[4-(acetylamino)phenyl]-7-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386215
SMILES CC(=O)Nc1ccc(cc1)NC(=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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-13-4-9-18-17(12-13)23(29(3,26)27)11-10-19(28-18)20(25)22-16-7-5-15(6-8-16)21-14(2)24/h4-9,12,19H,10-11H2,1-3H3,(H,21,24)(H,22,25)InChIKey
MRUCKYWHRSOJST-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC=C(C=C3)NC(=O)C
InChI=1SC20H23N3O5Sc113491817(1213)23(29(326)27)111019(2818)20(25)22167515(6816)2114(2)24h491219H1011H213H3(H2124)(H2225)
MFCD27225327
N(4(acetylamino)phenyl)7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(4acetamidophenyl)7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000064988661
ZINC000064988663
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