Vitas-M small molecule compound
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(octylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK706743
SMILES CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCc1ccc(cc1)OC
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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 C29H34N4O3S2 MW 550.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O3S2/c1-3-4-5-6-7-9-17-30-26-23(27(34)32-18-10-8-11-25(32)31-26)20-24-28(35)33(29(37)38-24)19-16-21-12-14-22(36-2)15-13-21/h8,10-15,18,20,30H,3-7,9,16-17,19H2,1-2H3/b24-20-InChIKey
JJBUDTNUFAYIBH-GFMRDNFCSA-NSynonyms
(5Z)3(2(4METHOXYPHENYL)ETHYL)5((2(OCTYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(4methoxyphenethyl)5((2(octylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(octylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCCNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC
CCCCCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCc1ccc(cc1)OC
InChI=1SC29H34N4O3S2c134567917302623(27(34)32181081125(32)3126)202428(35)33(29(37)3824)191621121422(362)151321h81015182030H379161719H212H3b2420
MFCD03691646
ZINC000097947237
ZINC97947237
Check stock
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Check stock on Vitas-MAvailable files
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