Vitas-M small molecule compound

2-(1,3-benzothiazol-2-yl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK156420
SMILES O=C1N(c2nc3c(s2)cccc3)C(=O)c2c1cc(cc2)c1nc2ccccc2c(=O)o1

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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 C23H11N3O4S MW 425.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H11N3O4S/c27-20-13-10-9-12(19-24-16-6-2-1-5-14(16)22(29)30-19)11-15(13)21(28)26(20)23-25-17-7-3-4-8-18(17)31-23/h1-11H
InChIKey
AGOGSDOHGNRXGP-UHFFFAOYSA-N
Synonyms

2(13BENZOTHIAZOL2YL)5(4OXO31BENZOXAZIN2YL)ISOINDOLE13DIONE
2(13BENZOTHIAZOL2YL)5(4OXO4H31BENZOXAZIN2YL)1HISOINDOLE13(2H)DIONE
2BENZOTHIAZOL2YL5(4OXO4HBENZO(D)(13)OXAZIN2YL)ISOINDOLE13DIONE
2BENZOTHIAZOL2YL5(4OXOBENZO(D)13OXAZIN2YL)BENZO(C)AZOLIDINE13DIONE
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=NC6=CC=CC=C6S5
InChI=1SC23H11N3O4Sc27201310912(192416621514(16)22(29)3019)1115(13)21(28)26(20)232517734818(17)3123h111H
MFCD01159535
ZINC000000832906
ZINC00832906
ZINC832906

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Available files

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