Vitas-M small molecule compound
{(5E)-5-[1-(2-nitrobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STL368264
SMILES OC(=O)CN1C(=S)S/C(=C/2\c3ccccc3N(C2=O)Cc2ccccc2[N+](=O)[O-])/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 C20H13N3O6S2 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O6S2/c24-15(25)10-22-19(27)17(31-20(22)30)16-12-6-2-4-8-14(12)21(18(16)26)9-11-5-1-3-7-13(11)23(28)29/h1-8H,9-10H2,(H,24,25)/b17-16+InChIKey
YXNQKYDHKOVQPN-WUKNDPDISA-NSynonyms
((5E)5(1(2nitrobenzyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5(1((2nitrophenyl)methyl)2oxoindol3ylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CC(=O)O)C2=O)(N+)(=O)(O)
InChI=1SC20H13N3O6S2c2415(25)102219(27)17(3120(22)30)1612624814(12)21(18(16)26)911513713(11)23(28)29h18H910H2(H2425)b1716+
MFCD28952100
OC(=O)CN1C(=S)SC(=C2c3ccccc3N(C2=O)Cc2ccccc2(N+)(=O)(O))C1=O
ZINC000098086484
ZINC98086484
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