Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816233
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)/C1=O)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 C27H28ClN5O2S2 MW 554.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN5O2S2/c1-4-18(3)33-26(35)22(37-27(33)36)16-21-24(29-23-17(2)7-6-10-32(23)25(21)34)31-13-11-30(12-14-31)20-9-5-8-19(28)15-20/h5-10,15-16,18H,4,11-14H2,1-3H3/b22-16-InChIKey
OMOSOFCTSMIQMX-JWGURIENSA-NSynonyms
(5Z)3BUTAN2YL5((2(4(3CHLOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(3chlorophenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC(=CC=C5)Cl)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2cccc(c2)Cl)C1=O)C
InChI=1SC27H28ClN5O2S2c1418(3)3326(35)22(3727(33)36)162124(292317(2)761032(23)25(21)34)31131130(121431)2095819(28)1520h510151618H41114H213H3b2216
MFCD04522269
ZINC000100763511
ZINC000100763519
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