Vitas-M small molecule compound
6-[(5Z)-5-{[2-(4-benzylpiperazin-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
STK815899
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(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 C29H31N5O4S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S2/c35-25(36)12-5-2-7-14-34-28(38)23(40-29(34)39)19-22-26(30-24-11-6-8-13-33(24)27(22)37)32-17-15-31(16-18-32)20-21-9-3-1-4-10-21/h1,3-4,6,8-11,13,19H,2,5,7,12,14-18,20H2,(H,35,36)/b23-19-InChIKey
VHWGMNQNCFDYDR-NMWGTECJSA-NSynonyms
6((5Z)5((2(4benzylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCCCCC(=O)O
InChI=1SC29H31N5O4S2c3525(36)12527143428(38)23(4029(34)39)192226(302411681333(24)27(22)37)32171531(161832)202193141021h13468111319H25712141820H2(H3536)b2319
MFCD04527315
OC(=O)CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C1=O
ZINC000008872578
ZINC8872578
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.