Vitas-M small molecule compound
3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methoxyethyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK704843
SMILES COCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)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 C20H22N4O5S3 MW 494.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S3/c1-12-3-4-16-22-17(21-6-7-29-2)14(18(25)23(16)10-12)9-15-19(26)24(20(30)31-15)13-5-8-32(27,28)11-13/h3-4,9-10,13,21H,5-8,11H2,1-2H3/b15-9-InChIKey
LRGVZFHSISBFQY-DHDCSXOGSA-NSynonyms
(5Z)3(11DIOXOTHIOLAN3YL)5((2(2METHOXYETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2methoxyethyl)amino)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)NCCOC)C=C1
COCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)C
InChI=1SC20H22N4O5S3c11234162217(2167292)14(18(25)23(16)1012)91519(26)24(20(30)3115)135832(2728)1113h349101321H5811H212H3b159
MFCD04446658
ZINC000016734556
ZINC000016734559
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