Vitas-M small molecule compound
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799564
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)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 C32H31N5O4S2 MW 613.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O4S2/c1-40-24-10-6-22(7-11-24)14-16-37-31(39)27(43-32(37)42)21-26-29(33-28-5-3-4-15-36(28)30(26)38)35-19-17-34(18-20-35)23-8-12-25(41-2)13-9-23/h3-13,15,21H,14,16-20H2,1-2H3/b27-21-InChIKey
YEXNBQQOIDPQLY-MEFGMAGPSA-NSynonyms
(5Z)3(2(4methoxyphenyl)ethyl)5((2(4(4methoxyphenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)4Hpyrido(12a)pyrimidin4one
COC1=CC=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)C6=CC=C(C=C6)OC)SC2=S
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC32H31N5O4S2c1402410622(71124)14163731(39)27(4332(37)42)212629(33285341536(28)30(26)38)35191734(182035)2381225(412)13923h3131521H141620H212H3b2721
MFCD06642800
ZINC000097946829
ZINC97946829
Check stock
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Check stock on Vitas-MAvailable files
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