Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK515112
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/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 C29H31N5O5S2 MW 593.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O5S2/c1-19-4-7-25-30-26(32-11-9-31(10-12-32)17-20-5-6-22-23(14-20)39-18-38-22)21(27(35)34(25)16-19)15-24-28(36)33(29(40)41-24)8-3-13-37-2/h4-7,14-16H,3,8-13,17-18H2,1-2H3/b24-15-InChIKey
FAENEYYNCUZMKL-IWIPYMOSSA-NSynonyms
(5Z)5((2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(3methoxypropyl)2sulfanylidene13thiazolidin4one
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C=C1
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC29H31N5O5S2c11947253026(3211931(101232)1720562223(1420)39183822)21(27(35)34(25)1619)152428(36)33(29(40)4124)8313372h471416H38131718H212H3b2415
MFCD03212941
ZINC000100763085
ZINC100763085
Check stock
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Check stock on Vitas-MAvailable files
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