Vitas-M small molecule compound
N-[2-(benzylcarbamoyl)phenyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389795
SMILES O=C(C1CCN(c2c(O1)cccc2)S(=O)(=O)C)Nc1ccccc1C(=O)NCc1ccccc1
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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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-34(31,32)28-16-15-23(33-22-14-8-7-13-21(22)28)25(30)27-20-12-6-5-11-19(20)24(29)26-17-18-9-3-2-4-10-18/h2-14,23H,15-17H2,1H3,(H,26,29)(H,27,30)InChIKey
IKTBETSZGRAEEI-UHFFFAOYSA-NSynonyms
CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4
InChI=1SC25H25N3O5Sc134(3132)28161523(332214871321(22)28)25(30)272012651119(20)24(29)26171893241018h21423H1517H21H3(H2629)(H2730)
MFCD13987019
N(2(benzylcarbamoyl)phenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(2(benzylcarbamoyl)phenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000038855012
ZINC000038855016
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