Vitas-M small molecule compound
3-{(Z)-[3-(2-ethylhexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810542
SMILES CCCCC(CN1C(=S)S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)/C1=O)CC
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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 C28H39N5O3S2 MW 557.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39N5O3S2/c1-4-6-10-21(5-2)19-33-27(35)23(38-28(33)37)18-22-24(29-11-8-12-31-14-16-36-17-15-31)30-25-20(3)9-7-13-32(25)26(22)34/h7,9,13,18,21,29H,4-6,8,10-12,14-17,19H2,1-3H3/b23-18-InChIKey
WAFFNGQZMJFKLV-NKFKGCMQSA-NSynonyms
(5Z)3(2ETHYLHEXYL)5((9METHYL2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((3(morpholin4yl)propyl)amino)4Hpyrido(12a)pyrimidin4one
CCCCC(CC)CN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCCCN4CCOCC4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O)CC
InChI=1SC28H39N5O3S2c1461021(52)193327(35)23(3828(33)37)182224(291181231141636171531)302520(3)971332(25)26(22)34h7913182129H4681012141719H213H3b2318
MFCD04576474
ZINC000097946315
ZINC000097946316
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