Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK514969
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/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 C29H31N5O4S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S2/c1-4-19(3)34-28(36)24(40-29(34)39)14-21-26(30-25-8-5-18(2)15-33(25)27(21)35)32-11-9-31(10-12-32)16-20-6-7-22-23(13-20)38-17-37-22/h5-8,13-15,19H,4,9-12,16-17H2,1-3H3/b24-14-InChIKey
HLSUQXBCCVBOGN-OYKKKHCWSA-NSynonyms
(5Z)5((2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3butan2yl2sulfanylidene13thiazolidin4one
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O)C
InChI=1SC29H31N5O4S2c1419(3)3428(36)24(4029(34)39)142126(30258518(2)1533(25)27(21)35)3211931(101232)1620672223(1320)38173722h58131519H49121617H213H3b2414
MFCD03212947
ZINC000100763091
ZINC000100763097
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Check stock on Vitas-MAvailable files
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