Vitas-M small molecule compound
2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-{(E)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK880952
SMILES S=C1S/C(=C/c2c(nc3n(c2=O)cccc3C)N2CCC3(CC2)OCCO3)/C(=O)N1Cc1ccco1
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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/c1-16-4-2-8-28-20(16)26-21(27-9-6-25(7-10-27)33-12-13-34-25)18(22(28)30)14-19-23(31)29(24(35)36-19)15-17-5-3-11-32-17/h2-5,8,11,14H,6-7,9-10,12-13,15H2,1H3/b19-14+InChIKey
NKFJCHGWRAXDGR-XMHGGMMESA-NSynonyms
(5E)5((2(14dioxa8azaspiro(45)decan8yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(furan2ylmethyl)2sulfanylidene13thiazolidin4one
2(14dioxa8azaspiro(45)dec8yl)3((E)(3(furan2ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CO4)N5CCC6(CC5)OCCO6
InChI=1SC25H24N4O5S2c1164282820(16)2621(279625(71027)3312133425)18(22(28)30)141923(31)29(24(35)3619)151753113217h2581114H67910121315H21H3b1914+
MFCD18075875
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC3(CC2)OCCO3)C(=O)N1Cc1ccco1
ZINC000097962768
ZINC97962768
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