Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811711
SMILES COCCCN1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)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 C25H24N4O5S2 MW 524.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S2/c1-15-5-3-8-28-22(15)27-21(26-13-16-6-7-18-19(11-16)34-14-33-18)17(23(28)30)12-20-24(31)29(25(35)36-20)9-4-10-32-2/h3,5-8,11-12,26H,4,9-10,13-14H2,1-2H3/b20-12-InChIKey
ALOCFXHBSMSYSS-NDENLUEZSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)NCC4=CC5=C(C=C4)OCO5
COCCCN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3C)C1=O
InChI=1SC25H24N4O5S2c1155382822(15)2721(261316671819(1116)34143318)17(23(28)30)122024(31)29(25(35)3620)9410322h358111226H49101314H212H3b2012
MFCD03212813
ZINC000002390579
ZINC2390579
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