Vitas-M small molecule compound

2-(4-tert-butylphenoxy)-3-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK905100
SMILES S=C1S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3C)/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)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 C34H31N5O4S2 MW 637.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O4S2/c1-20-11-10-18-37-28(20)35-29(43-24-16-14-22(15-17-24)34(3,4)5)25(30(37)40)19-26-31(41)38(33(44)45-26)27-21(2)36(6)39(32(27)42)23-12-8-7-9-13-23/h7-19H,1-6H3/b26-19-
InChIKey
KNQLLPUGNVECCT-XHPQRKPJSA-N
Synonyms

(5Z)5((2(4tertbutylphenoxy)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(15dimethyl3oxo2phenylpyrazol4yl)2sulfanylidene13thiazolidin4one
2(4tertbutylphenoxy)3((Z)(3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)OC6=CC=C(C=C6)C(C)(C)C
InChI=1SC34H31N5O4S2c1201110183728(20)3529(4324161422(151724)34(34)5)25(30(37)40)192631(41)38(33(44)4526)2721(2)36(6)39(32(27)42)23128791323h719H16H3b2619
MFCD18076256
S=C1SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3C)C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C
ZINC000097968902
ZINC97968902

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Available files

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