Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK707374
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)/C(=O)N1CCc1ccccc1
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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 C30H26N4O2S2 MW 538.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O2S2/c1-20-8-7-15-33-26(20)31-27(32-16-14-22-11-5-6-12-23(22)19-32)24(28(33)35)18-25-29(36)34(30(37)38-25)17-13-21-9-3-2-4-10-21/h2-12,15,18H,13-14,16-17,19H2,1H3/b25-18-InChIKey
SXKGPZXCCJLCSX-BWAHOGKJSA-NSynonyms
862208-12-6(5Z)5((2(34dihydro1Hisoquinolin2yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(34dihydroisoquinolin2(1H)yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3phenethyl2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)9methyl3((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
862208126
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCC6=CC=CC=C6C5
InChI=1SC30H26N4O2S2c12087153326(20)3127(3216142211561223(22)1932)24(28(33)35)182529(36)34(30(37)3825)17132193241021h2121518H1314161719H21H3b2518
MFCD05697454
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)C(=O)N1CCc1ccccc1
ZINC000101235051
ZINC101235051
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