Vitas-M small molecule compound
3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK820020
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(nc4n(c3=O)cccc4)N3CCCC3)/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 C26H26N4O4S2 MW 522.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S2/c1-33-19-9-8-17(15-20(19)34-2)10-14-30-25(32)21(36-26(30)35)16-18-23(28-11-5-6-12-28)27-22-7-3-4-13-29(22)24(18)31/h3-4,7-9,13,15-16H,5-6,10-12,14H2,1-2H3/b21-16-InChIKey
KRUXNPWTNJFUMV-PGMHBOJBSA-NSynonyms
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((4OXO2PYRROLIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(pyrrolidin1yl)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCCC5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(nc4n(c3=O)cccc4)N3CCCC3)C2=O)ccc1OC
InChI=1SC26H26N4O4S2c133199817(1520(19)342)10143025(32)21(3626(30)35)161823(2811561228)27227341329(22)24(18)31h3479131516H56101214H212H3b2116
MFCD04448710
ZINC000016741305
ZINC16741305
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