Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK883156
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC(C)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 C28H31N5O3S2 MW 549.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S2/c1-18(2)16-33-27(35)23(38-28(33)37)15-22-25(29-24-10-5-19(3)17-32(24)26(22)34)31-13-11-30(12-14-31)20-6-8-21(36-4)9-7-20/h5-10,15,17-18H,11-14,16H2,1-4H3/b23-15-InChIKey
HUJSSVLNPMLMNM-HAHDFKILSA-NSynonyms
(5Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(2methylpropyl)2sulfanylidene13thiazolidin4one
2(4(4methoxyphenyl)piperazin1yl)7methyl3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCN(CC4)C5=CC=C(C=C5)OC)C=C1
COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CC(C)C)C
InChI=1SC28H31N5O3S2c118(2)163327(35)23(3828(33)37)152225(292410519(3)1732(24)26(22)34)31131130(121431)206821(364)9720h510151718H111416H214H3b2315
MFCD03285439
ZINC000100762463
ZINC100762463
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