Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-methoxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK704774
SMILES COCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(CC)C)C
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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 C21H26N4O3S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S2/c1-5-14(3)25-20(27)16(30-21(25)29)11-15-18(22-9-6-10-28-4)23-17-8-7-13(2)12-24(17)19(15)26/h7-8,11-12,14,22H,5-6,9-10H2,1-4H3/b16-11-InChIKey
YDKFGRRZGISLGR-WJDWOHSUSA-NSynonyms
(5Z)3BUTAN2YL5((2(3METHOXYPROPYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((3methoxypropyl)amino)7methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCCCOC)SC1=S
COCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)C(CC)C)C
InChI=1SC21H26N4O3S2c1514(3)2520(27)16(3021(25)29)111518(229610284)23178713(2)1224(17)19(15)26h7811121422H56910H214H3b1611
MFCD04446626
ZINC000016805829
ZINC000016805831
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