Vitas-M small molecule compound

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

Catalog ID
STL385673
SMILES COc1ccc(cc1)S(=O)(=O)N1CC(Oc2c1cccc2)C(=O)Nc1cccc(c1C)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/c1-16-19(25(29)33-3)7-6-8-20(16)26-24(28)23-15-27(21-9-4-5-10-22(21)34-23)35(30,31)18-13-11-17(32-2)12-14-18/h4-14,23H,15H2,1-3H3,(H,26,28)
InChIKey
UAPCAICPDKLJKY-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC
InChI=1SC25H24N2O7Sc11619(25(29)333)76820(16)2624(28)231527(219451022(21)3423)35(3031)18131117(322)121418h41423H15H213H3(H2628)
methyl3(((4((4methoxyphenyl)sulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)2methylbenzoate
methyl3((4(4methoxyphenyl)sulfonyl23dihydro14benzoxazine2carbonyl)amino)2methylbenzoate
MFCD27217706
ZINC000064986314
ZINC000064986315

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Available files

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