Vitas-M small molecule compound

3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK542349
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(NCC(C)C)nc4n(c3=O)cccc4)/C2=O)ccc1OC

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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 C26H28N4O4S2 MW 524.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S2/c1-16(2)15-27-23-18(24(31)29-11-6-5-7-22(29)28-23)14-21-25(32)30(26(35)36-21)12-10-17-8-9-19(33-3)20(13-17)34-4/h5-9,11,13-14,16,27H,10,12,15H2,1-4H3/b21-14-
InChIKey
HQYLEMRHESPSHB-STZFKDTASA-N
Synonyms
498571-10-1
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((2(isobutylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2methylpropyl)amino)4Hpyrido(12a)pyrimidin4one
3(2(34DIMETHOXYPHENYL)ETHYL)5((2((2METHYLPROPYL)AMINO)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
498571101
CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC
COc1cc(CCN2C(=S)SC(=Cc3c(NCC(C)C)nc4n(c3=O)cccc4)C2=O)ccc1OC
InChI=1SC26H28N4O4S2c116(2)15272318(24(31)291165722(29)2823)142125(32)30(26(35)3621)1210178919(333)20(1317)344h591113141627H101215H214H3b2114
MFCD03302215
ZINC000008834841
ZINC8834841

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Available files

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