Vitas-M small molecule compound
2-(4-tert-butylphenoxy)-3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905075
SMILES S=C1S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C(=O)N1C1CCS(=O)(=O)C1
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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 C26H25N3O5S3 MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S3/c1-26(2,3)16-7-9-18(10-8-16)34-22-19(23(30)28-12-5-4-6-21(28)27-22)14-20-24(31)29(25(35)36-20)17-11-13-37(32,33)15-17/h4-10,12,14,17H,11,13,15H2,1-3H3/b20-14-InChIKey
MAGNIAXBDMIADW-ZHZULCJRSA-NSynonyms
(5Z)5((2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)3(11dioxothiolan3yl)2sulfanylidene13thiazolidin4one
2(4tertbutylphenoxy)3((Z)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)C5CCS(=O)(=O)C5
InChI=1SC26H25N3O5S3c126(23)167918(10816)342219(23(30)281254621(28)2722)142024(31)29(25(35)3620)17111337(3233)1517h410121417H111315H213H3b2014
MFCD18076231
S=C1SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C(=O)N1C1CCS(=O)(=O)C1
ZINC000097947381
ZINC000097947382
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