Vitas-M small molecule compound

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

Catalog ID
STK798878
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

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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 C31H29N5O3S2 MW 583.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O3S2/c1-21-7-6-14-35-27(21)32-28(34-17-15-33(16-18-34)23-10-12-24(39-2)13-11-23)25(29(35)37)19-26-30(38)36(31(40)41-26)20-22-8-4-3-5-9-22/h3-14,19H,15-18,20H2,1-2H3/b26-19-
InChIKey
BLIIUGYYSUIQNZ-XHPQRKPJSA-N
Synonyms

(5Z)3BENZYL5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCN(CC5)C6=CC=C(C=C6)OC
COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC31H29N5O3S2c12176143527(21)3228(34171533(161834)23101224(392)131123)25(29(35)37)192630(38)36(31(40)4126)20228435922h31419H151820H212H3b2619
MFCD03462119
ZINC000097946194
ZINC97946194

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Available files

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