Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798452
SMILES CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)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 C28H29N5O4S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S2/c1-18(2)15-33-27(35)23(39-28(33)38)14-20-25(29-24-5-3-4-8-32(24)26(20)34)31-11-9-30(10-12-31)16-19-6-7-21-22(13-19)37-17-36-21/h3-8,13-14,18H,9-12,15-17H2,1-2H3/b23-14-InChIKey
MDUIFFFSLADYQB-UCQKPKSFSA-NSynonyms
(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C)CN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)SC1=S
CC(CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O)C
InChI=1SC28H29N5O4S2c118(2)153327(35)23(3928(33)38)142025(2924534832(24)26(20)34)3111930(101231)1619672122(1319)37173621h38131418H9121517H212H3b2314
MFCD03212899
ZINC000100763011
ZINC100763011
Check stock
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Check stock on Vitas-MAvailable files
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