Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-methoxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK514518
SMILES COCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)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 C25H24N4O5S2 MW 524.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S2/c1-15-4-7-21-27-22(26-8-3-9-32-2)17(23(30)28(21)12-15)11-20-24(31)29(25(35)36-20)13-16-5-6-18-19(10-16)34-14-33-18/h4-7,10-12,26H,3,8-9,13-14H2,1-2H3/b20-11-InChIKey
XKALFFQRPQJUMA-JAIQZWGSSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(3METHOXYPROPYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((3methoxypropyl)amino)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCCCOC)C=C1
COCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C
InChI=1SC25H24N4O5S2c11547212722(26839322)17(23(30)28(21)1215)112024(31)29(25(35)3620)1316561819(1016)34143318h47101226H3891314H212H3b2011
MFCD04446337
ZINC000100763786
ZINC100763786
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