Vitas-M small molecule compound
4-[(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK811511
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)/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 C28H28N4O4S2 MW 548.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S2/c33-24(34)10-6-14-32-27(36)22(38-28(32)37)18-21-25(29-23-9-4-5-13-31(23)26(21)35)30-15-11-20(12-16-30)17-19-7-2-1-3-8-19/h1-5,7-9,13,18,20H,6,10-12,14-17H2,(H,33,34)/b22-18-InChIKey
UIAYUHPQABFRMO-PYCFMQQDSA-NSynonyms
4((5Z)5((2(4benzylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(4BENZYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCCC(=O)O
InChI=1SC28H28N4O4S2c3324(34)106143227(36)22(3828(32)37)182125(29239451331(23)26(21)35)30151120(121630)17197213819h1579131820H610121417H2(H3334)b2218
MFCD03933149
OC(=O)CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C1=O
ZINC000029747431
ZINC29747431
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