Vitas-M small molecule compound
2-(cyclohexylamino)-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK814673
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NC3CCCCC3)nc3n(c2=O)cccc3)/C1=O
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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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-33-19-12-10-17(11-13-19)16-30-25(32)21(35-26(30)34)15-20-23(27-18-7-3-2-4-8-18)28-22-9-5-6-14-29(22)24(20)31/h5-6,9-15,18,27H,2-4,7-8,16H2,1H3/b21-15-InChIKey
NFCFOJNQUQODKX-QNGOZBTKSA-NSynonyms
(5Z)5((2(CYCLOHEXYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHOXYPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexylamino)3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NC5CCCCC5)SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2c(NC3CCCCC3)nc3n(c2=O)cccc3)C1=O
InChI=1SC26H26N4O3S2c13319121017(111319)163025(32)21(3526(30)34)152023(27187324818)28229561429(22)24(20)31h569151827H247816H21H3b2115
MFCD04442266
ZINC000016731606
ZINC16731606
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