Vitas-M small molecule compound
2-[(3-hydroxypropyl)amino]-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793728
SMILES OCCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)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 C23H22N4O3S2 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S2/c1-15(16-8-3-2-4-9-16)27-22(30)18(32-23(27)31)14-17-20(24-11-7-13-28)25-19-10-5-6-12-26(19)21(17)29/h2-6,8-10,12,14-15,24,28H,7,11,13H2,1H3/b18-14-InChIKey
NCQDDYGWEYDIIA-JXAWBTAJSA-NSynonyms
(5Z)5((2(3HYDROXYPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3hydroxypropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2((3hydroxypropyl)amino)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCCCO)SC2=S
InChI=1SC23H22N4O3S2c115(168324916)2722(30)18(3223(27)31)141720(241171328)251910561226(19)21(17)29h268101214152428H71113H21H3b1814
MFCD02989967
OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C
ZINC000001747597
ZINC000001747606
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