Vitas-M small molecule compound
[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK905625
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/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 C23H20N4O5S2 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S2/c1-13-6-5-9-26-20(13)25-19(24-11-16(28)14-7-3-2-4-8-14)15(21(26)31)10-17-22(32)27(12-18(29)30)23(33)34-17/h2-10,16,24,28H,11-12H2,1H3,(H,29,30)/b17-10-InChIKey
RQXGDKVVTJMJNG-YVLHZVERSA-NSynonyms
714255-97-7((5Z)5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
714255977
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)NCC(C4=CC=CC=C4)O
InChI=1SC23H20N4O5S2c1136592620(13)2519(241116(28)147324814)15(21(26)31)101722(32)27(1218(29)30)23(33)3417h210162428H1112H21H3(H2930)b1710
MFCD05694916
OC(=O)CN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)C1=O
ZINC000001880159
ZINC000001880162
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.