Vitas-M small molecule compound

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

Catalog ID
STK854930
SMILES CCC(Nc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C)CO

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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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-4-18(14-30)26-21-19(23(31)28-12-8-9-15(2)22(28)27-21)13-20-24(32)29(25(33)34-20)16(3)17-10-6-5-7-11-17/h5-13,16,18,26,30H,4,14H2,1-3H3/b20-13-
InChIKey
ZGSHKWQLBLCJLV-MOSHPQCFSA-N
Synonyms
615272-47-4
(5Z)5((2(1HYDROXYBUTAN2YLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((1hydroxybutan2yl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2((1hydroxybutan2yl)amino)9methyl3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2((1ETHYL2HYDROXYETHYL)AMINO)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(PHENYLETHYL)2THIOXO13THIAZOLIDIN4ONE
615272474
CCC(CO)NC1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4
CCC(Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)CO
InChI=1SC25H26N4O3S2c1418(1430)262119(23(31)28128915(2)22(28)2721)132024(32)29(25(33)3420)16(3)17106571117h51316182630H414H213H3b2013
MFCD03668247
ZINC000008857883
ZINC000008913983

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Available files

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