Vitas-M small molecule compound

N-{2-[ethyl(4-methylphenyl)amino]ethyl}-4-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Catalog ID
STL360453
SMILES CCN(c1ccc(cc1)C)CCNC(=O)C1Oc2ccccc2N(C1)S(=O)(=O)CC

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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 C22H29N3O4S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O4S/c1-4-24(18-12-10-17(3)11-13-18)15-14-23-22(26)21-16-25(30(27,28)5-2)19-8-6-7-9-20(19)29-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,23,26)
InChIKey
UJHQYOREPWWGBF-UHFFFAOYSA-N
Synonyms

CCN(CCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC)C3=CC=C(C=C3)C
InChI=1SC22H29N3O4Sc1424(18121017(3)111318)15142322(26)211625(30(2728)52)19867920(19)2921h61321H451416H213H3(H2326)
MFCD28033867
N(2(ethyl(4methylphenyl)amino)ethyl)4(ethylsulfonyl)34dihydro2H14benzoxazine2carboxamide
N(2(Nethyl4methylanilino)ethyl)4ethylsulfonyl23dihydro14benzoxazine2carboxamide
ZINC000095471653
ZINC000095471654

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Available files

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