Vitas-M small molecule compound

methyl 4-[({4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-2-yl}carbonyl)amino]benzoate

Catalog ID
STL385651
SMILES COc1ccc(cc1)S(=O)(=O)N1CC(Oc2c1cccc2)C(=O)Nc1ccc(cc1)C(=O)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 C24H22N2O7S MW 482.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O7S/c1-31-18-11-13-19(14-12-18)34(29,30)26-15-22(33-21-6-4-3-5-20(21)26)23(27)25-17-9-7-16(8-10-17)24(28)32-2/h3-14,22H,15H2,1-2H3,(H,25,27)
InChIKey
SSHUOPFFVJPSND-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC24H22N2O7Sc13118111319(141218)34(2930)261522(3321643520(21)26)23(27)25179716(81017)24(28)322h31422H15H212H3(H2527)
methyl4(((4((4methoxyphenyl)sulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)benzoate
methyl4((4(4methoxyphenyl)sulfonyl23dihydro14benzoxazine2carbonyl)amino)benzoate
MFCD27217684
ZINC000064986270
ZINC000064986271

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Available files

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