Vitas-M small molecule compound

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

Catalog ID
STK794475
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCCCC2)/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 C21H22N4O4S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S2/c26-17(27)8-6-12-25-20(29)15(31-21(25)30)13-14-18(23-9-3-1-4-10-23)22-16-7-2-5-11-24(16)19(14)28/h2,5,7,11,13H,1,3-4,6,8-10,12H2,(H,26,27)/b15-13-
InChIKey
BIISLFOSEBJGPF-SQFISAMPSA-N
Synonyms
438244-23-6
(Z)4(4oxo5((4oxo2(piperidin1yl)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin3yl)butanoicacid
4((5Z)4oxo5((4oxo2(piperidin1yl)4Hpyrido(12a)pyrimidin3yl)methylidene)2thioxo13thiazolidin3yl)butanoicacid
4((5Z)4OXO5((4OXO2PIPERIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(4OXO5((4OXO2(1PIPERIDINYL)4HPYRIDO(12A)PYRIMIDIN3YL)METHYLENE)2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
438244236
C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCC(=O)O
InChI=1SC21H22N4O4S2c2617(27)86122520(29)15(3121(25)30)131418(2393141023)22167251124(16)19(14)28h2571113H134681012H2(H2627)b1513
MFCD03212270
OC(=O)CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCCCC2)C1=O
ZINC000001757607
ZINC01757607
ZINC1757607

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Available files

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