Vitas-M small molecule compound
3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK823729
SMILES Cc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NCCCN3CCOCC3)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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-19-6-8-20(9-7-19)18-32-26(34)22(37-27(32)36)17-21-24(28-10-4-11-30-13-15-35-16-14-30)29-23-5-2-3-12-31(23)25(21)33/h2-3,5-9,12,17,28H,4,10-11,13-16,18H2,1H3/b22-17-InChIKey
LZLAFFMNIMAYHA-XLNRJJMWSA-NSynonyms
(5Z)3((4METHYLPHENYL)METHYL)5((2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((3(morpholin4yl)propyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCCCN5CCOCC5)SC2=S
Cc1ccc(cc1)CN1C(=S)SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3)C1=O
InChI=1SC27H29N5O3S2c1196820(9719)183226(34)22(3727(32)36)172124(281041130131535161430)29235231231(23)25(21)33h2359121728H41011131618H21H3b2217
MFCD03212968
ZINC000100763120
ZINC100763120
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