Vitas-M small molecule compound
2-(4-tert-butylphenoxy)-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK881401
SMILES CC(CN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C1=O)C
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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 C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-16(2)15-29-24(31)20(34-25(29)33)14-19-22(27-21-8-6-7-13-28(21)23(19)30)32-18-11-9-17(10-12-18)26(3,4)5/h6-14,16H,15H2,1-5H3/b20-14-InChIKey
SCQLWESQPFFJIK-ZHZULCJRSA-NSynonyms
796877-10-6(5Z)5((2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isobutyl2thioxothiazolidin4one
2(4tertbutylphenoxy)3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
796877106
CC(C)CN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)C(C)(C)C)SC1=S
CC(CN1C(=S)SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C1=O)C
InChI=1SC26H27N3O3S2c116(2)152924(31)20(3425(29)33)141922(27218671328(21)23(19)30)321811917(101218)26(34)5h61416H15H215H3b2014
MFCD03669082
ZINC000002199639
ZINC2199639
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.