Vitas-M small molecule compound
6-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK557128
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/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 C26H26N4O5S2 MW 538.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5S2/c31-19(17-9-3-1-4-10-17)16-27-23-18(24(34)29-13-8-6-11-21(29)28-23)15-20-25(35)30(26(36)37-20)14-7-2-5-12-22(32)33/h1,3-4,6,8-11,13,15,19,27,31H,2,5,7,12,14,16H2,(H,32,33)/b20-15-InChIKey
YYIFXLNGROFZMR-HKWRFOASSA-NSynonyms
578000-61-0(Z)6(5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)hexanoicacid
578000610
6((5Z)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
C1=CC=C(C=C1)C(CNC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCCCC(=O)O)O
InChI=1SC26H26N4O5S2c3119(1793141017)16272318(24(34)2913861121(29)2823)152025(35)30(26(36)3720)147251222(32)33h13468111315192731H257121416H2(H3233)b2015
MFCD04022828
OC(=O)CCCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
ZINC000101066064
ZINC000101066067
Check stock
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Check stock on Vitas-MAvailable files
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