Vitas-M small molecule compound
11-{(5Z)-5-[(2-{[2-(2-hydroxyethoxy)ethyl]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
STK810384
SMILES OCCOCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)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 C27H36N4O6S2 MW 576.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O6S2/c32-16-18-37-17-13-28-24-20(25(35)30-14-10-8-11-22(30)29-24)19-21-26(36)31(27(38)39-21)15-9-6-4-2-1-3-5-7-12-23(33)34/h8,10-11,14,19,28,32H,1-7,9,12-13,15-18H2,(H,33,34)/b21-19-InChIKey
HOEOYPBHMQJGBA-VZCXRCSSSA-NSynonyms
11((5Z)5((2((2(2hydroxyethoxy)ethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((2(2(2HYDROXYETHOXY)ETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C1=CC2=NC(=C(C(=O)N2C=C1)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)NCCOCCO
InChI=1SC27H36N4O6S2c321618371713282420(25(35)30141081122(30)2924)192126(36)31(27(38)3921)15964213571223(33)34h8101114192832H17912131518H2(H3334)b2119
MFCD03932927
OCCOCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O
ZINC000100840302
ZINC100840302
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