Vitas-M small molecule compound

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

Catalog ID
STL385668
SMILES COc1ccc(cc1)S(=O)(=O)N1CC(Oc2c1cccc2)C(=O)Nc1cc(ccc1C)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 C25H24N2O7S MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O7S/c1-16-8-9-17(25(29)33-3)14-20(16)26-24(28)23-15-27(21-6-4-5-7-22(21)34-23)35(30,31)19-12-10-18(32-2)11-13-19/h4-14,23H,15H2,1-3H3,(H,26,28)
InChIKey
MWYQBZFQDNVMEC-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)OC
InChI=1SC25H24N2O7Sc1168917(25(29)333)1420(16)2624(28)231527(21645722(21)3423)35(3031)19121018(322)111319h41423H15H213H3(H2628)
methyl3(((4((4methoxyphenyl)sulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)4methylbenzoate
methyl3((4(4methoxyphenyl)sulfonyl23dihydro14benzoxazine2carbonyl)amino)4methylbenzoate
MFCD27217701
ZINC000064986304
ZINC000064986305

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Available files

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