Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK819435
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCCC2)/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 C24H30N4O2S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O2S2/c1-3-4-5-6-7-14-28-23(30)19(32-24(28)31)16-18-21(26-12-8-9-13-26)25-20-17(2)11-10-15-27(20)22(18)29/h10-11,15-16H,3-9,12-14H2,1-2H3/b19-16-InChIKey
CRNIELJSLJXJSX-MNDPQUGUSA-NSynonyms
(5Z)3HEPTYL5((9METHYL4OXO2PYRROLIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(pyrrolidin1yl)4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCCC4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCCC2)C1=O
InChI=1SC24H30N4O2S2c134567142823(30)19(3224(28)31)161821(2612891326)252017(2)11101527(20)22(18)29h10111516H391214H212H3b1916
MFCD04448414
ZINC000095927320
ZINC95927320
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