Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-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
STK810393
SMILES CCC(N1C(=S)S/C(=C\c2c(NCCN3CCOCC3)nc3n(c2=O)cccc3C)/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 C23H29N5O3S2 MW 487.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O3S2/c1-4-16(3)28-22(30)18(33-23(28)32)14-17-19(24-7-9-26-10-12-31-13-11-26)25-20-15(2)6-5-8-27(20)21(17)29/h5-6,8,14,16,24H,4,7,9-13H2,1-3H3/b18-14-InChIKey
UBRXIIOQHCTBBD-JXAWBTAJSA-NSynonyms
(5Z)3BUTAN2YL5((9METHYL2(2MORPHOLIN4YLETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((2(morpholin4yl)ethyl)amino)4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCCN4CCOCC4)SC1=S
CCC(N1C(=S)SC(=Cc2c(NCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O)C
InChI=1SC23H29N5O3S2c1416(3)2822(30)18(3323(28)32)141719(247926101231131126)252015(2)65827(20)21(17)29h568141624H47913H213H3b1814
MFCD03932932
ZINC000022574808
ZINC000022574814
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