Vitas-M small molecule compound
{(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STL428326
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=C/1\SC(=S)N(C1=O)CC(=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 C13H8N2O7S2 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O7S2/c16-11(17)4-14-12(18)10(24-13(14)23)2-6-1-8-9(22-5-21-8)3-7(6)15(19)20/h1-3H,4-5H2,(H,16,17)/b10-2-InChIKey
LPTUNDXTPIBMCN-SGAXSIHGSA-NSynonyms
((5Z)5((6nitro13benzodioxol5yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(O)(N+)(=O)c1cc2OCOc2cc1C=C1SC(=S)N(C1=O)CC(=O)O
2((5Z)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)(N+)(=O)(O)
InChI=1SC13H8N2O7S2c1611(17)41412(18)10(2413(14)23)26189(225218)37(6)15(19)20h13H45H2(H1617)b102
MFCD02627778
ZINC000002993875
ZINC2993875
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