Vitas-M small molecule compound
2-(4-tert-butylphenoxy)-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905076
SMILES S=C1S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C(=O)N1CC1CCCO1
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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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-27(2,3)17-9-11-18(12-10-17)34-23-20(24(31)29-13-5-4-8-22(29)28-23)15-21-25(32)30(26(35)36-21)16-19-7-6-14-33-19/h4-5,8-13,15,19H,6-7,14,16H2,1-3H3/b21-15-InChIKey
YOAJHNVSDPPKIT-QNGOZBTKSA-NSynonyms
(5Z)5((2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)3(oxolan2ylmethyl)2sulfanylidene13thiazolidin4one
2(4tertbutylphenoxy)3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)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)CC5CCCO5
InChI=1SC27H27N3O4S2c127(23)1791118(121017)342320(24(31)291354822(29)2823)152125(32)30(26(35)3621)161976143319h458131519H671416H213H3b2115
MFCD18076232
S=C1SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C(=O)N1CC1CCCO1
ZINC000040221195
ZINC000040221198
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