Vitas-M small molecule compound
3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK876997
SMILES COCCCN1C(=S)S/C(=C\c2c(NCC=C)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 C20H22N4O3S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S2/c1-4-8-21-16-14(18(25)23-9-5-7-13(2)17(23)22-16)12-15-19(26)24(20(28)29-15)10-6-11-27-3/h4-5,7,9,12,21H,1,6,8,10-11H2,2-3H3/b15-12-InChIKey
HCSHJRANYKGVHV-QINSGFPZSA-NSynonyms
361995-83-7(5Z)3(3METHOXYPROPYL)5((9METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(allylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(prop2en1ylamino)4Hpyrido(12a)pyrimidin4one
361995837
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)NCC=C
COCCCN1C(=S)SC(=Cc2c(NCC=C)nc3n(c2=O)cccc3C)C1=O
InChI=1SC20H22N4O3S2c148211614(18(25)2395713(2)17(23)2216)121519(26)24(20(28)2915)10611273h45791221H1681011H223H3b1512
MFCD01950716
ZINC000002282936
ZINC2282936
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