Vitas-M small molecule compound
4-[(5Z)-5-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK823799
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCC(=O)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 C28H29N5O5S2 MW 579.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5S2/c1-18-5-3-11-32-24(18)29-25(31-15-13-30(14-16-31)19-7-9-20(38-2)10-8-19)21(26(32)36)17-22-27(37)33(28(39)40-22)12-4-6-23(34)35/h3,5,7-11,17H,4,6,12-16H2,1-2H3,(H,34,35)/b22-17-InChIKey
ONSBWPJDVPUXKY-XLNRJJMWSA-NSynonyms
4((5Z)5((2(4(4methoxyphenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(4(4methoxyphenyl)piperazin1yl)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)N4CCN(CC4)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCC(=O)O
InChI=1SC28H29N5O5S2c11853113224(18)2925(31151330(141631)197920(382)10819)21(26(32)36)172227(37)33(28(39)4022)124623(34)35h3571117H461216H212H3(H3435)b2217
MFCD18075702
ZINC000097947186
ZINC97947186
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