Vitas-M small molecule compound

2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl (4-oxoquinazolin-3(4H)-yl)acetate

Catalog ID
STK667147
SMILES O=C(Cn1cnc2c(c1=O)cccc2)OCCN(C1=NS(=O)(=O)c2c1cccc2)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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-23(19-15-7-3-5-9-17(15)30(27,28)22-19)10-11-29-18(25)12-24-13-21-16-8-4-2-6-14(16)20(24)26/h2-9,13H,10-12H2,1H3
InChIKey
DSFDHOQALWRIPK-UHFFFAOYSA-N
Synonyms

2((11dioxido12benzothiazol3yl)(methyl)amino)ethyl(4oxoquinazolin3(4H)yl)acetate
2((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)ETHYL2(4OXOQUINAZOLIN3YL)ACETATE
CN(CCOC(=O)CN1C=NC2=CC=CC=C2C1=O)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC20H18N4O5Sc123(1915735917(15)30(2728)2219)10112918(25)1224132116842614(16)20(24)26h2913H1012H21H3
MFCD02110886
ZINC000001066544
ZINC01066544
ZINC1066544

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Available files

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