Vitas-M small molecule compound

2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxytetrahydrothiophen-3-yl)acetamide

Catalog ID
STL307776
SMILES O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)/C1=O)NC1CSCC1O

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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 C17H16N2O6S2 MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6S2/c20-11-7-26-6-10(11)18-15(21)5-19-16(22)14(27-17(19)23)4-9-1-2-12-13(3-9)25-8-24-12/h1-4,10-11,20H,5-8H2,(H,18,21)/b14-4-
InChIKey
MCPVEVPOSPYBGD-CPSFFCFKSA-N
Synonyms

2((5Z)5(13benzodioxol5ylmethylidene)24dioxo13thiazolidin3yl)N(4hydroxytetrahydrothiophen3yl)acetamide
2((5Z)5(13benzodioxol5ylmethylidene)24dioxo13thiazolidin3yl)N(4hydroxythiolan3yl)acetamide
2((E)5(benzo(d)(13)dioxol5ylmethylene)24dioxothiazolidin3yl)N((3S4R)4hydroxytetrahydrothiophen3yl)acetamide
2(5(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)24DIOXO(13THIAZOLIDIN3YL))N(4HYDROXYTHIOLAN3YL)ACETAMIDE
C1C(C(CS1)O)NC(=O)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=O
InChI=1SC17H16N2O6S2c2011726610(11)1815(21)51916(22)14(2717(19)23)49121213(39)2582412h14101120H58H2(H1821)b144
MFCD28025045
O=C(CN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O)N(C@@H)1CSC(C@@H)1O
O=C(CN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O)NC1CSCC1O
ZINC000054360974
ZINC000054360977

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Available files

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