Vitas-M small molecule compound

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

Catalog ID
STK798751
SMILES Cc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)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 C32H31N5O2S2 MW 581.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O2S2/c1-22-10-12-25(13-11-22)21-37-31(39)27(41-32(37)40)19-26-29(33-28-23(2)7-6-14-36(28)30(26)38)35-17-15-34(16-18-35)20-24-8-4-3-5-9-24/h3-14,19H,15-18,20-21H2,1-2H3/b27-19-
InChIKey
YVBOLTMWBYOHFR-DIBXZPPDSA-N
Synonyms

(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4benzylpiperazin1yl)9methyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C(=CC=CN4C3=O)C)N5CCN(CC5)CC6=CC=CC=C6)SC2=S
Cc1ccc(cc1)CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C1=O
InChI=1SC32H31N5O2S2c122101225(131122)213731(39)27(4132(37)40)192629(332823(2)761436(28)30(26)38)35171534(161835)20248435924h31419H15182021H212H3b2719
MFCD03213001
ZINC000100763197
ZINC100763197

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Available files

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