Vitas-M small molecule compound
[(5Z)-5-(4-methyl-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428468
SMILES OC(=O)CN1C(=S)S/C(=C\c2ccc(c(c2)[N+](=O)[O-])C)/C1=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 C13H10N2O5S2 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O5S2/c1-7-2-3-8(4-9(7)15(19)20)5-10-12(18)14(6-11(16)17)13(21)22-10/h2-5H,6H2,1H3,(H,16,17)/b10-5-InChIKey
YIDAKUWAIWTHFL-YHYXMXQVSA-NSynonyms
((5Z)5(4methyl3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((4METHYL3NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)(N+)(=O)(O)
InChI=1SC13H10N2O5S2c17238(49(7)15(19)20)51012(18)14(611(16)17)13(21)2210h25H6H21H3(H1617)b105
MFCD10165088
OC(=O)CN1C(=S)SC(=Cc2ccc(c(c2)(N+)(=O)(O))C)C1=O
ZINC000013343776
ZINC13343776
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