Vitas-M small molecule compound
4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate
Catalog ID
STL367789
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2)/C=C\1/SC(=O)NC1=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 C20H17NO8S2 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO8S2/c1-26-16-9-12(10-18-19(22)21-20(23)30-18)3-5-15(16)29-31(24,25)13-4-6-14-17(11-13)28-8-2-7-27-14/h3-6,9-11H,2,7-8H2,1H3,(H,21,22,23)/b18-10+InChIKey
PNWYHQWUWBFLRT-VCHYOVAHSA-NSynonyms
(4((E)(24dioxo13thiazolidin5ylidene)methyl)2methoxyphenyl)34dihydro2H15benzodioxepine7sulfonate
4((E)(24dioxo13thiazolidin5ylidene)methyl)2methoxyphenyl34dihydro2H15benzodioxepine7sulfonate
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)S2)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4
COc1cc(ccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2)C=C1SC(=O)NC1=O
InChI=1SC20H17NO8S2c12616912(101819(22)2120(23)3018)3515(16)2931(2425)13461417(1113)288272714h36911H278H21H3(H212223)b1810+
MFCD28951922
ZINC000096191222
ZINC96191222
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