Vitas-M small molecule compound
[(5E)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428123
SMILES OC(=O)CN1C(=S)S/C(=C/c2ccc(o2)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 C17H12N2O6S2 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O6S2/c1-9-2-3-10(6-12(9)19(23)24)13-5-4-11(25-13)7-14-16(22)18(8-15(20)21)17(26)27-14/h2-7H,8H2,1H3,(H,20,21)/b14-7+InChIKey
XAHPPNVMLFWXOH-VGOFMYFVSA-NSynonyms
((5E)5((5(4methyl3nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC(=O)O)(N+)(=O)(O)
InChI=1SC17H12N2O6S2c192310(612(9)19(23)24)135411(2513)71416(22)18(815(20)21)17(26)2714h27H8H21H3(H2021)b147+
MFCD01963652
OC(=O)CN1C(=S)SC(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C1=O
ZINC000002998381
ZINC2998381
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