Vitas-M small molecule compound

N-(2-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Catalog ID
STL385697
SMILES CCc1ccccc1NC(=O)C1Oc2cc(C)ccc2N(C1)S(=O)(=O)c1ccc(cc1)OC

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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 C25H26N2O5S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5S/c1-4-18-7-5-6-8-21(18)26-25(28)24-16-27(22-14-9-17(2)15-23(22)32-24)33(29,30)20-12-10-19(31-3)11-13-20/h5-15,24H,4,16H2,1-3H3,(H,26,28)
InChIKey
LXRQWIXKFZJNSK-UHFFFAOYSA-N
Synonyms

CCC1=CC=CC=C1NC(=O)C2CN(C3=C(O2)C=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)OC
InChI=1SC25H26N2O5Sc1418756821(18)2625(28)241627(2214917(2)1523(22)3224)33(2930)20121019(313)111320h51524H416H213H3(H2628)
MFCD27217730
N(2ethylphenyl)4((4methoxyphenyl)sulfonyl)7methyl34dihydro2H14benzoxazine2carboxamide
N(2ethylphenyl)4(4methoxyphenyl)sulfonyl7methyl23dihydro14benzoxazine2carboxamide
ZINC000064986360
ZINC000064986361

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.