Vitas-M small molecule compound
[(5Z)-5-{[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK905060
SMILES COc1ccc(cc1)Oc1nc2ccccn2c(=O)c1/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 C21H15N3O6S2 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O6S2/c1-29-12-5-7-13(8-6-12)30-18-14(19(27)23-9-3-2-4-16(23)22-18)10-15-20(28)24(11-17(25)26)21(31)32-15/h2-10H,11H2,1H3,(H,25,26)/b15-10-InChIKey
JLZHTDDCYDADCR-GDNBJRDFSA-NSynonyms
((5Z)5((2(4methoxyphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((2(4methoxyphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC(=O)O
COc1ccc(cc1)Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC21H15N3O6S2c129125713(8612)301814(19(27)23932416(23)2218)101520(28)24(1117(25)26)21(31)3215h210H11H21H3(H2526)b1510
MFCD18076216
ZINC000040221157
ZINC40221157
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