Vitas-M small molecule compound
11-[(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]undecanoic acid
Catalog ID
STK514690
SMILES OC(=O)CCCCCCCCCCN1C(=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 C31H36N4O5S2 MW 608.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O5S2/c36-24(22-14-8-7-9-15-22)21-32-28-23(29(39)34-18-13-11-16-26(34)33-28)20-25-30(40)35(31(41)42-25)19-12-6-4-2-1-3-5-10-17-27(37)38/h7-9,11,13-16,18,20,24,32,36H,1-6,10,12,17,19,21H2,(H,37,38)/b25-20-InChIKey
DVTJQSGTHGAZEB-QQTULTPQSA-NSynonyms
11((5Z)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C1=CC=C(C=C1)C(CNC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCCCCCCCCC(=O)O)O
InChI=1SC31H36N4O5S2c3624(22148791522)21322823(29(39)341813111626(34)3328)202530(40)35(31(41)4225)1912642135101727(37)38h791113161820243236H161012171921H2(H3738)b2520
MFCD06644950
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
ZINC000097947749
ZINC000097947750
Check stock
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