Vitas-M small molecule compound
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810705
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)/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/c1-20-5-3-13-33-26(20)31-25(30-11-4-12-32-15-17-38-18-16-32)23(27(33)35)19-24-28(36)34(29(39)40-24)14-10-21-6-8-22(37-2)9-7-21/h3,5-9,13,19,30H,4,10-12,14-18H2,1-2H3/b24-19-InChIKey
NPWXSSDJNFZKDV-CLCOLTQESA-NSynonyms
(5Z)3(2(4METHOXYPHENYL)ETHYL)5((9METHYL2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((3(morpholin4yl)propyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)NCCCN5CCOCC5
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O
InChI=1SC29H33N5O4S2c12053133326(20)3125(301141232151738181632)23(27(33)35)192428(36)34(29(39)4024)1410216822(372)9721h359131930H410121418H212H3b2419
MFCD03933016
ZINC000100840474
ZINC100840474
Check stock
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Check stock on Vitas-MAvailable files
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