Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK515120
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)/C=C/1\SC(=S)N(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 C26H25N5O4S2 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S2/c1-16-3-6-22-27-23(18(24(32)31(22)13-16)12-21-25(33)28(2)26(36)37-21)30-9-7-29(8-10-30)14-17-4-5-19-20(11-17)35-15-34-19/h3-6,11-13H,7-10,14-15H2,1-2H3/b21-12-InChIKey
FTTMXJYLQLNBOE-MTJSOVHGSA-NSynonyms
(5Z)5((2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3methyl2sulfanylidene13thiazolidin4one
2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl3((Z)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C=C1SC(=S)N(C1=O)C
InChI=1SC26H25N5O4S2c11636222723(18(24(32)31(22)1316)122125(33)28(2)26(36)3721)309729(81030)1417451920(1117)35153419h361113H7101415H212H3b2112
MFCD03212929
ZINC000100763064
ZINC100763064
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