Vitas-M small molecule compound

2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK982875
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)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 C25H25N5O3S2 MW 507.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O3S2/c1-16-5-4-10-30-21(16)26-22(19(23(30)31)15-20-24(32)27(2)25(34)35-20)29-13-11-28(12-14-29)17-6-8-18(33-3)9-7-17/h4-10,15H,11-14H2,1-3H3/b20-15-
InChIKey
NMXOGBBSTGWNIZ-HKWRFOASSA-N
Synonyms
442867-86-9
(5Z)5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3METHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(4methoxyphenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3methyl2thioxothiazolidin4one
2(4(4methoxyphenyl)piperazin1yl)9methyl3((Z)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
442867869
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C)N4CCN(CC4)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C
InChI=1SC25H25N5O3S2c11654103021(16)2622(19(23(30)31)152024(32)27(2)25(34)3520)29131128(121429)176818(333)9717h41015H1114H213H3b2015
MFCD03305085
ZINC000001474245
ZINC1474245

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.