Vitas-M small molecule compound
[(5E)-5-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428643
SMILES OC(=O)CN1C(=S)S/C(=C/c2cc(n(c2C)c2cccc3c2cccc3)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 C22H18N2O3S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O3S2/c1-13-10-16(11-19-21(27)23(12-20(25)26)22(28)29-19)14(2)24(13)18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,25,26)/b19-11+InChIKey
YLBFALHLSWKXIM-YBFXNURJSA-NSynonyms
((5E)5((25dimethyl1(naphthalen1yl)1Hpyrrol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((25DIMETHYL1NAPHTHALEN1YLPYRROL3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)CC(=O)O
InChI=1SC22H18N2O3S2c1131016(111921(27)23(1220(25)26)22(28)2919)14(2)24(13)1895715634817(15)18h311H12H212H3(H2526)b1911+
MFCD04084416
OC(=O)CN1C(=S)SC(=Cc2cc(n(c2C)c2cccc3c2cccc3)C)C1=O
ZINC000009310490
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