Vitas-M small molecule compound

ethyl 2-[({6-methyl-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-2-yl}carbonyl)amino]benzoate

Catalog ID
STL385453
SMILES CCOC(=O)c1ccccc1NC(=O)C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)C)C

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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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-4-33-26(30)20-7-5-6-8-21(20)27-25(29)24-16-28(22-15-18(3)11-14-23(22)34-24)35(31,32)19-12-9-17(2)10-13-19/h5-15,24H,4,16H2,1-3H3,(H,27,29)
InChIKey
ZGUVVKXETPLEJL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C4=CC=C(C=C4)C
ethyl2(((6methyl4((4methylphenyl)sulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)benzoate
ethyl2((6methyl4(4methylphenyl)sulfonyl23dihydro14benzoxazine2carbonyl)amino)benzoate
InChI=1SC26H26N2O6Sc143326(30)20756821(20)2725(29)241628(221518(3)111423(22)3424)35(3132)1912917(2)101319h51524H416H213H3(H2729)
MFCD27217487
ZINC000064985846
ZINC000064985848

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Available files

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