Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705785
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)/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 C28H31N5O3S2 MW 549.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S2/c1-3-4-6-14-33-27(35)23(38-28(33)37)19-22-25(29-24-8-5-7-13-32(24)26(22)34)31-17-15-30(16-18-31)20-9-11-21(36-2)12-10-20/h5,7-13,19H,3-4,6,14-18H2,1-2H3/b23-19-InChIKey
NJFJJVGJZWLTLD-NMWGTECJSA-NSynonyms
(5Z)5((2(4(4methoxyphenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
2(4(4methoxyphenyl)piperazin1yl)3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C5=CC=C(C=C5)OC)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC28H31N5O3S2c1346143327(35)23(3828(33)37)192225(29248571332(24)26(22)34)31171530(161831)2091121(362)121020h571319H3461418H212H3b2319
MFCD06642775
ZINC000097946828
ZINC97946828
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