Vitas-M small molecule compound
3-[(Z)-(3-hexyl-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
STK705774
SMILES CCCCCCN1C(=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 C29H33N5O3S2 MW 563.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O3S2/c1-3-4-5-7-15-34-28(36)24(39-29(34)38)20-23-26(30-25-9-6-8-14-33(25)27(23)35)32-18-16-31(17-19-32)21-10-12-22(37-2)13-11-21/h6,8-14,20H,3-5,7,15-19H2,1-2H3/b24-20-InChIKey
XCCJWRHFKDJSPF-GFMRDNFCSA-NSynonyms
(5Z)3hexyl5((2(4(4methoxyphenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)4Hpyrido(12a)pyrimidin4one
CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C5=CC=C(C=C5)OC)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC29H33N5O3S2c13457153428(36)24(3929(34)38)202326(30259681433(25)27(23)35)32181631(171932)21101222(372)131121h681420H3571519H212H3b2420
MFCD06642768
ZINC000097946683
ZINC97946683
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