Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK819475
SMILES CCC(N1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)/C1=O)C
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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 C24H22N4O4S2 MW 494.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S2/c1-3-14(2)28-23(30)19(34-24(28)33)11-16-21(26-20-6-4-5-9-27(20)22(16)29)25-12-15-7-8-17-18(10-15)32-13-31-17/h4-11,14,25H,3,12-13H2,1-2H3/b19-11-InChIKey
VUJOYTZSASFDPJ-ODLFYWEKSA-NSynonyms
(5Z)5((2(13benzodioxol5ylmethylamino)4oxopyrido(12a)pyrimidin3yl)methylidene)3butan2yl2sulfanylidene13thiazolidin4one
2((13benzodioxol5ylmethyl)amino)3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC4=CC5=C(C=C4)OCO5)SC1=S
CCC(N1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)C1=O)C
InChI=1SC24H22N4O4S2c1314(2)2823(30)19(3424(28)33)111621(2620645927(20)22(16)29)251215781718(1015)32133117h4111425H31213H212H3b1911
MFCD03212800
ZINC000016741234
ZINC000016741235
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