Vitas-M small molecule compound

[(5Z)-5-{[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STK906714
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(Oc3cc(C)cc(c3)C)nc3n(c2=O)cccc3)/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 C22H17N3O5S2 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S2/c1-12-7-13(2)9-14(8-12)30-19-15(20(28)24-6-4-3-5-17(24)23-19)10-16-21(29)25(11-18(26)27)22(31)32-16/h3-10H,11H2,1-2H3,(H,26,27)/b16-10-
InChIKey
XJZDYWPAYIFEPA-YBEGLDIGSA-N
Synonyms
848207-38-5
((5Z)5((2(35dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((2(35dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((2(35dimethylphenoxy)4oxo1Hpyrido(12a)pyrimidin5ium3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetate
2((5Z)5((2(35DIMETHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
848207385
CC1=CC(=CC(=C1)OC2=C(C(=O)(N+)3=CC=CC=C3N2)C=C4C(=O)N(C(=S)S4)CC(=O)(O))C
InChI=1SC22H17N3O5S2c112713(2)914(812)301915(20(28)24643517(24)2319)101621(29)25(1118(26)27)22(31)3216h310H11H212H3(H2627)b1610
MFCD04188269
OC(=O)CN1C(=S)SC(=Cc2c(Oc3cc(C)cc(c3)C)nc3n(c2=O)cccc3)C1=O
ZINC000009185493
ZINC09185493
ZINC9185493

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Available files

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