Vitas-M small molecule compound
3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[2-(morpholin-4-yl)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810401
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NCCN3CCOCC3)nc3n(c2=O)cccc3C)/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 C27H29N5O4S2 MW 551.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4S2/c1-18-4-3-10-31-24(18)29-23(28-9-11-30-12-14-36-15-13-30)21(25(31)33)16-22-26(34)32(27(37)38-22)17-19-5-7-20(35-2)8-6-19/h3-8,10,16,28H,9,11-15,17H2,1-2H3/b22-16-InChIKey
NJWXRDFLCHVTFP-JWGURIENSA-NSynonyms
(5Z)3((4METHOXYPHENYL)METHYL)5((9METHYL2(2MORPHOLIN4YLETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((2(morpholin4yl)ethyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)NCCN5CCOCC5
COc1ccc(cc1)CN1C(=S)SC(=Cc2c(NCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O
InChI=1SC27H29N5O4S2c11843103124(18)2923(2891130121436151330)21(25(31)33)162226(34)32(27(37)3822)17195720(352)8619h38101628H9111517H212H3b2216
MFCD03932937
ZINC000100840311
ZINC100840311
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