Vitas-M small molecule compound

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

Catalog ID
STL385451
SMILES CCOC(=O)c1ccc(cc1)NC(=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)19-8-10-20(11-9-19)27-25(29)24-16-28(22-15-18(3)7-14-23(22)34-24)35(31,32)21-12-5-17(2)6-13-21/h5-15,24H,4,16H2,1-3H3,(H,27,29)
InChIKey
PTNHVQQYLYRTMW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C4=CC=C(C=C4)C
ethyl4(((6methyl4((4methylphenyl)sulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)benzoate
ethyl4((6methyl4(4methylphenyl)sulfonyl23dihydro14benzoxazine2carbonyl)amino)benzoate
InChI=1SC26H26N2O6Sc143326(30)1981020(11919)2725(29)241628(221518(3)71423(22)3424)35(3132)2112517(2)61321h51524H416H213H3(H2729)
MFCD27217485
ZINC000064985840
ZINC000064985841

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Available files

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