Vitas-M small molecule compound

3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK707017
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NCC(C)C)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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-15(2)13-26-21-19(23(30)28-11-5-6-16(3)22(28)27-21)12-20-24(31)29(25(33)34-20)14-17-7-9-18(32-4)10-8-17/h5-12,15,26H,13-14H2,1-4H3/b20-12-
InChIKey
ZNTTUZNBTAFLCH-NDENLUEZSA-N
Synonyms
608497-31-0
(5Z)3((4METHOXYPHENYL)METHYL)5((9METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(isobutylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methoxybenzyl)2thioxothiazolidin4one
3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((2methylpropyl)amino)4Hpyrido(12a)pyrimidin4one
608497310
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)NCC(C)C
COc1ccc(cc1)CN1C(=S)SC(=Cc2c(NCC(C)C)nc3n(c2=O)cccc3C)C1=O
InChI=1SC25H26N4O3S2c115(2)13262119(23(30)28115616(3)22(28)2721)122024(31)29(25(33)3420)14177918(324)10817h5121526H1314H214H3b2012
MFCD03687140
ZINC000002249446
ZINC2249446

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.