Vitas-M small molecule compound
2-{4-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK836775
SMILES OC(CN1C(=O)c2c(S1(=O)=O)cccc2)COc1ccc(cc1)N1C(=O)C2C(C1=O)CC=CC2
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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 C24H22N2O7S MW 482.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O7S/c27-16(13-25-22(28)20-7-3-4-8-21(20)34(25,31)32)14-33-17-11-9-15(10-12-17)26-23(29)18-5-1-2-6-19(18)24(26)30/h1-4,7-12,16,18-19,27H,5-6,13-14H2InChIKey
RKUOQVRNGUJGEX-UHFFFAOYSA-NSynonyms
2(4(2HYDROXY3(113TRIOXO12BENZOTHIAZOL2YL)PROPOXY)PHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
2(4(3(11dioxido3oxo12benzothiazol2(3H)yl)2hydroxypropoxy)phenyl)3a477atetrahydro1Hisoindole13(2H)dione
2(4(3(11dioxido3oxobenzo(d)isothiazol2(3H)yl)2hydroxypropoxy)phenyl)3a477atetrahydro1Hisoindole13(2H)dione
C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)OCC(CN4C(=O)C5=CC=CC=C5S4(=O)=O)O
InChI=1SC24H22N2O7Sc2716(132522(28)20734821(20)34(2531)32)14331711915(101217)2623(29)18512619(18)24(26)30h1471216181927H561314H2
MFCD02085296
ZINC000012436570
ZINC000239403032
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