Vitas-M small molecule compound
2-[4-(3-chlorophenyl)piperazin-1-yl]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798937
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)/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 C27H28ClN5O3S2 MW 570.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN5O3S2/c1-18-6-4-9-32-23(18)29-24(31-13-11-30(12-14-31)20-8-3-7-19(28)16-20)21(25(32)34)17-22-26(35)33(27(37)38-22)10-5-15-36-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3/b22-17-InChIKey
OTOBROQKEKKDNI-XLNRJJMWSA-NSynonyms
(5Z)5((2(4(3CHLOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(3chlorophenyl)piperazin1yl)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)C5=CC(=CC=C5)Cl
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)C1=O
InChI=1SC27H28ClN5O3S2c1186493223(18)2924(31131130(121431)2083719(28)1620)21(25(32)34)172226(35)33(27(37)3822)10515362h34691617H51015H212H3b2217
MFCD03462154
ZINC000097946210
ZINC97946210
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