Vitas-M small molecule compound
9-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798631
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCCCC2)/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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-3-9-25-20(27)16(29-21(25)28)13-15-18(23-10-5-4-6-11-23)22-17-14(2)8-7-12-24(17)19(15)26/h3,7-8,12-13H,1,4-6,9-11H2,2H3/b16-13-InChIKey
ZKEAYZMAGVBERW-SSZFMOIBSA-NSynonyms
(5Z)5((9METHYL4OXO2PIPERIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
9methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)2(piperidin1yl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCCCC2)C1=O
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCCCC4
InChI=1SC21H22N4O2S2c1392520(27)16(2921(25)28)131518(23105461123)221714(2)871224(17)19(15)26h3781213H146911H22H3b1613
MFCD03462034
ZINC000001474161
ZINC1474161
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