Vitas-M small molecule compound

methyl [2-(4,5-dimethoxy-2-{[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}phenyl)ethyl]carbamate

Catalog ID
STK666424
SMILES COC(=O)NCCc1cc(OC)c(cc1NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2)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 C21H25N3O8S MW 479.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O8S/c1-24-16-10-14(5-6-17(16)32-12-20(24)25)33(27,28)23-15-11-19(30-3)18(29-2)9-13(15)7-8-22-21(26)31-4/h5-6,9-11,23H,7-8,12H2,1-4H3,(H,22,26)
InChIKey
PCIXUBNOXBNGJJ-UHFFFAOYSA-N
Synonyms

CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3CCNC(=O)OC)OC)OC
InChI=1SC21H25N3O8Sc124161014(5617(16)321220(24)25)33(2728)23151119(303)18(292)913(15)782221(26)314h5691123H7812H214H3(H2226)
methyl(2(45dimethoxy2(((4methyl3oxo34dihydro2H14benzoxazin6yl)sulfonyl)amino)phenyl)ethyl)carbamate
methylN(2(45dimethoxy2((4methyl3oxo14benzoxazin6yl)sulfonylamino)phenyl)ethyl)carbamate
MFCD09062634
ZINC000012416801
ZINC12416801

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Available files

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