Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(furan-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK812469
SMILES CCC(N1C(=S)S/C(=C\c2c(NCc3ccco3)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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-3-13(2)25-20(27)16(30-21(25)29)11-15-18(22-12-14-7-6-10-28-14)23-17-8-4-5-9-24(17)19(15)26/h4-11,13,22H,3,12H2,1-2H3/b16-11-InChIKey
STYQLCBBXVVHAK-WJDWOHSUSA-NSynonyms
(5Z)3BUTAN2YL5((2(FURAN2YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((furan2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC4=CC=CO4)SC1=S
InChI=1SC21H20N4O3S2c1313(2)2520(27)16(3021(25)29)111518(22121476102814)2317845924(17)19(15)26h4111322H312H212H3b1611
MFCD03933184
ZINC000016728907
ZINC000016728909
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