Vitas-M small molecule compound
3-[(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]propanoic acid
Catalog ID
STK704145
SMILES OC(=O)CCN1C(=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 C26H25N5O4S2 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S2/c32-22(33)9-11-31-25(35)20(37-26(31)36)16-19-23(27-21-8-4-5-10-30(21)24(19)34)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-8,10,16H,9,11-15,17H2,(H,32,33)/b20-16-InChIKey
IPTIRIMAMWZYGE-SILNSSARSA-NSynonyms
3((5Z)5((2(4benzylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCC(=O)O
InChI=1SC26H25N5O4S2c3222(33)9113125(35)20(3726(31)36)161923(27218451030(21)24(19)34)29141228(131529)17186213718h181016H9111517H2(H3233)b2016
MFCD04446400
OC(=O)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C1=O
ZINC000100761618
ZINC100761618
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