Vitas-M small molecule compound

2-(4-benzylpiperazin-1-yl)-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK793792
SMILES COCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccccc2)/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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-19-8-9-23-28-24(30-12-10-29(11-13-30)18-20-6-4-3-5-7-20)21(25(33)32(23)17-19)16-22-26(34)31(14-15-35-2)27(36)37-22/h3-9,16-17H,10-15,18H2,1-2H3/b22-16-
InChIKey
MXHCGVHFSJTHPB-JWGURIENSA-N
Synonyms

(5Z)5((2(4BENZYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(2methoxyethyl)2thioxothiazolidin4one
2(4benzylpiperazin1yl)3((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCOC)N4CCN(CC4)CC5=CC=CC=C5)C=C1
COCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccccc2)C1=O
InChI=1SC27H29N5O3S2c11989232824(30121029(111330)18206435720)21(25(33)32(23)1719)162226(34)31(1415352)27(36)3722h391617H101518H212H3b2216
MFCD02984988
ZINC000096022186
ZINC96022186

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Available files

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