Vitas-M small molecule compound

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

Catalog ID
STK801228
SMILES CCC(Nc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)F)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 C23H21FN4O3S2 MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O3S2/c1-2-16(13-29)25-20-17(21(30)27-10-4-3-5-19(27)26-20)11-18-22(31)28(23(32)33-18)12-14-6-8-15(24)9-7-14/h3-11,16,25,29H,2,12-13H2,1H3/b18-11-
InChIKey
LAQYWVLWSCVCTM-WQRHYEAKSA-N
Synonyms

(5Z)3((4fluorophenyl)methyl)5((2(1hydroxybutan2ylamino)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(4fluorobenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((1hydroxybutan2yl)amino)4Hpyrido(12a)pyrimidin4one
CCC(CO)NC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F
CCC(Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)F)CO
InChI=1SC23H21FN4O3S2c1216(1329)252017(21(30)271043519(27)2620)111822(31)28(23(32)3318)12146815(24)9714h311162529H21213H21H3b1811
MFCD04447359
ZINC000016736171
ZINC000016736174

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Available files

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