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11-[(5Z)-5-({9-methyl-2-[(2-methylpropyl)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
STK707011
SMILES CC(CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)C

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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 C28H38N4O4S2 MW 558.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4O4S2/c1-19(2)18-29-24-21(26(35)31-16-12-13-20(3)25(31)30-24)17-22-27(36)32(28(37)38-22)15-11-9-7-5-4-6-8-10-14-23(33)34/h12-13,16-17,19,29H,4-11,14-15,18H2,1-3H3,(H,33,34)/b22-17-
InChIKey
IOIWHMSLGCQLOQ-XLNRJJMWSA-N
Synonyms

(Z)11(5((2(isobutylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)undecanoicacid
11((5Z)5((9methyl2((2methylpropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((9METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
11(5((9METHYL2((2METHYLPROPYL)AMINO)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)UNDECANOICACID
CC(CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)NCC(C)C
InChI=1SC28H38N4O4S2c119(2)18292421(26(35)3116121320(3)25(31)3024)172227(36)32(28(37)3822)1511975468101423(33)34h121316171929H411141518H213H3(H3334)b2217
MFCD03694801
ZINC000097959617
ZINC97959617

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Available files

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