Vitas-M small molecule compound
6-[(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]hexanoic acid
Catalog ID
STK811505
SMILES OC(=O)CCCCCN1C(=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 C30H32N4O4S2 MW 576.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O4S2/c35-26(36)12-5-2-7-16-34-29(38)24(40-30(34)39)20-23-27(31-25-11-6-8-15-33(25)28(23)37)32-17-13-22(14-18-32)19-21-9-3-1-4-10-21/h1,3-4,6,8-11,15,20,22H,2,5,7,12-14,16-19H2,(H,35,36)/b24-20-InChIKey
AUVPPHVDZOVXEE-GFMRDNFCSA-NSynonyms
6((5Z)5((2(4benzylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((2(4BENZYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCCCCC(=O)O
InChI=1SC30H32N4O4S2c3526(36)12527163429(38)24(4030(34)39)202327(312511681533(25)28(23)37)32171322(141832)192193141021h1346811152022H25712141619H2(H3536)b2420
MFCD03933148
OC(=O)CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C1=O
ZINC000100762110
ZINC100762110
Check stock
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Check stock on Vitas-MAvailable files
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