Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798881
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)OC)/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 C28H31N5O4S2 MW 565.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4S2/c1-19-6-4-11-32-24(19)29-25(31-15-13-30(14-16-31)20-7-9-21(37-3)10-8-20)22(26(32)34)18-23-27(35)33(28(38)39-23)12-5-17-36-2/h4,6-11,18H,5,12-17H2,1-3H3/b23-18-InChIKey
XNMYCXLFLPRPEK-NKFKGCMQSA-NSynonyms
(5Z)5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(4methoxyphenyl)piperazin1yl)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)C5=CC=C(C=C5)OC
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC28H31N5O4S2c11964113224(19)2925(31151330(141631)207921(373)10820)22(26(32)34)182327(35)33(28(38)3923)12517362h461118H51217H213H3b2318
MFCD03462123
ZINC000097946197
ZINC97946197
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