Vitas-M small molecule compound
3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-tert-butylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905078
SMILES S=C1S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C(=O)N1Cc1ccccc1
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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 C29H25N3O3S2 MW 527.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O3S2/c1-29(2,3)20-12-14-21(15-13-20)35-25-22(26(33)31-16-8-7-11-24(31)30-25)17-23-27(34)32(28(36)37-23)18-19-9-5-4-6-10-19/h4-17H,18H2,1-3H3/b23-17-InChIKey
WZYOLQJKVHXDGO-QJOMJCCJSA-NSynonyms
(5Z)3benzyl5((2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4tertbutylphenoxy)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)CC5=CC=CC=C5
InChI=1SC29H25N3O3S2c129(23)20121421(151320)352522(26(33)3116871124(31)3025)172327(34)32(28(36)3723)181995461019h417H18H213H3b2317
MFCD18076234
S=C1SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C(=O)N1Cc1ccccc1
ZINC000097947383
ZINC97947383
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