Vitas-M small molecule compound
2-(cyclohexylamino)-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK704144
SMILES S=C1S/C(=C\c2c(NC3CCCCC3)nc3n(c2=O)cccc3)/C(=O)N1C(c1ccccc1)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 C26H26N4O2S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S2/c1-17(18-10-4-2-5-11-18)30-25(32)21(34-26(30)33)16-20-23(27-19-12-6-3-7-13-19)28-22-14-8-9-15-29(22)24(20)31/h2,4-5,8-11,14-17,19,27H,3,6-7,12-13H2,1H3/b21-16-InChIKey
RTTKDIZNYMRUHI-PGMHBOJBSA-NSynonyms
(5Z)5((2(CYCLOHEXYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexylamino)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NC5CCCCC5)SC2=S
InChI=1SC26H26N4O2S2c117(18104251118)3025(32)21(3426(30)33)162023(2719126371319)282214891529(22)24(20)31h24581114171927H3671213H21H3b2116
MFCD04446399
S=C1SC(=Cc2c(NC3CCCCC3)nc3n(c2=O)cccc3)C(=O)N1C(c1ccccc1)C
ZINC000002823581
ZINC000002823583
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