Vitas-M small molecule compound

4-{[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid

Catalog ID
STK156469
SMILES O=C1c2cc(ccc2C(=O)N1CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)O

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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 C20H17NO7S MW 415.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO7S/c22-18-16-8-7-15(29(26,27)14-5-3-12(4-6-14)20(24)25)10-17(16)19(23)21(18)11-13-2-1-9-28-13/h3-8,10,13H,1-2,9,11H2,(H,24,25)
InChIKey
FXSPDOUCUXSMCG-UHFFFAOYSA-N
Synonyms

4((13DIOXO2((2S)TETRAHYDROFURAN2YLMETHYL)23DIHYDRO1HISOINDOL5YL)SULFONYL)BENZOICACID
4((13DIOXO2(OXOLAN2YLMETHYL)BENZO(C)AZOLIDIN5YL)SULFONYL)BENZOICACID
4((13DIOXO2(TETRAHYDROFURAN2YLMETHYL)23DIHYDRO1HISOINDOL5YL)SULFONYL)BENZOICACID
4(13DIOXO2(OXOLAN2YLMETHYL)ISOINDOL5YL)SULFONYLBENZOICACID
C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O
InChI=1SC20H17NO7Sc2218168715(29(2627)145312(4614)20(24)25)1017(16)19(23)21(18)11132192813h381013H12911H2(H2425)
MFCD01186228
ZINC000000969159
ZINC000000969160

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Available files

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