Vitas-M small molecule compound
[(5Z)-5-(3-methoxy-4-{[(4-nitrophenyl)carbonyl]oxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK071924
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/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 C20H14N2O8S2 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O8S2/c1-29-15-8-11(9-16-18(25)21(10-17(23)24)20(31)32-16)2-7-14(15)30-19(26)12-3-5-13(6-4-12)22(27)28/h2-9H,10H2,1H3,(H,23,24)/b16-9-InChIKey
QAOBRXVTAHUFOI-SXGWCWSVSA-NSynonyms
((5Z)5(3METHOXY4(((4NITROPHENYL)CARBONYL)OXY)BENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
2((5Z)5((3METHOXY4(4NITROBENZOYL)OXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC20H14N2O8S2c12915811(91618(25)21(1017(23)24)20(31)3216)2714(15)3019(26)123513(6412)22(27)28h29H10H21H3(H2324)b169
MFCD03226403
STK071924
ZINC000013898750
ZINC13898750
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