Vitas-M small molecule compound
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK982895
SMILES Cc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NCCCn3cncc3)nc3n(c2=O)cccc3)/C1=O
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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 C26H24N6O2S2 MW 516.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O2S2/c1-18-6-8-19(9-7-18)16-32-25(34)21(36-26(32)35)15-20-23(28-10-4-12-30-14-11-27-17-30)29-22-5-2-3-13-31(22)24(20)33/h2-3,5-9,11,13-15,17,28H,4,10,12,16H2,1H3/b21-15-InChIKey
XWHKFHLCWBOIOP-QNGOZBTKSA-NSynonyms
499116-70-0(5Z)5((2(3IMIDAZOL1YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3(1Himidazol1yl)propyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methylbenzyl)2thioxothiazolidin4one
2((3(1Himidazol1yl)propyl)amino)3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
499116700
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCCCN5C=CN=C5)SC2=S
Cc1ccc(cc1)CN1C(=S)SC(=Cc2c(NCCCn3cncc3)nc3n(c2=O)cccc3)C1=O
InChI=1SC26H24N6O2S2c1186819(9718)163225(34)21(3626(32)35)152023(2810412301411271730)29225231331(22)24(20)33h23591113151728H4101216H21H3b2115
MFCD03302423
ZINC000002351632
ZINC2351632
Check stock
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Check stock on Vitas-MAvailable files
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