Vitas-M small molecule compound
3-{(Z)-[3-(3-ethoxypropyl)-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
STK798880
SMILES CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)OC)/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 C29H33N5O4S2 MW 579.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O4S2/c1-4-38-18-6-13-34-28(36)24(40-29(34)39)19-23-26(30-25-20(2)7-5-12-33(25)27(23)35)32-16-14-31(15-17-32)21-8-10-22(37-3)11-9-21/h5,7-12,19H,4,6,13-18H2,1-3H3/b24-19-InChIKey
NWGYSQZPKHUPNG-CLCOLTQESA-NSynonyms
(5Z)3(3ETHOXYPROPYL)5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
CCOCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC=C(C=C5)OC)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC29H33N5O4S2c1438186133428(36)24(4029(34)39)192326(302520(2)751233(25)27(23)35)32161431(151732)2181022(373)11921h571219H461318H213H3b2419
MFCD03462122
ZINC000097946196
ZINC97946196
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.