Vitas-M small molecule compound

3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-tert-butylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK905079
SMILES S=C1S/C(=C\c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C(=O)N1Cc1ccc2c(c1)OCO2

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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 C30H25N3O5S2 MW 571.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5S2/c1-30(2,3)19-8-10-20(11-9-19)38-26-21(27(34)32-13-5-4-6-25(32)31-26)15-24-28(35)33(29(39)40-24)16-18-7-12-22-23(14-18)37-17-36-22/h4-15H,16-17H2,1-3H3/b24-15-
InChIKey
XZAURKWUQOURLI-IWIPYMOSSA-N
Synonyms

(5Z)3(13benzodioxol5ylmethyl)5((2(4tertbutylphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)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=CC6=C(C=C5)OCO6
InChI=1SC30H25N3O5S2c130(23)1981020(11919)382621(27(34)321354625(32)3126)152428(35)33(29(39)4024)16187122223(1418)37173622h415H1617H213H3b2415
MFCD18076235
S=C1SC(=Cc2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000097947384
ZINC97947384

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Available files

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