Vitas-M small molecule compound
3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794365
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(NCCc4ccccc4)nc4n(c3=O)cccc4)/C2=O)ccc1OC
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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 C30H28N4O4S2 MW 572.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O4S2/c1-37-23-12-11-21(18-24(23)38-2)14-17-34-29(36)25(40-30(34)39)19-22-27(31-15-13-20-8-4-3-5-9-20)32-26-10-6-7-16-33(26)28(22)35/h3-12,16,18-19,31H,13-15,17H2,1-2H3/b25-19-InChIKey
KYIPECMOKZDFLU-PLRJNAJWSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((4oxo2(2phenylethylamino)pyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((4OXO2(PHENETHYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((4oxo2(phenethylamino)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2phenylethyl)amino)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCCC5=CC=CC=C5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(NCCc4ccccc4)nc4n(c3=O)cccc4)C2=O)ccc1OC
InChI=1SC30H28N4O4S2c13723121121(1824(23)382)14173429(36)25(4030(34)39)192227(311513208435920)322610671633(26)28(22)35h31216181931H131517H212H3b2519
MFCD03301220
ZINC000100737214
ZINC100737214
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