Vitas-M small molecule compound
4-[(5Z)-5-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-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
STK800348
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCC(=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 C28H29N5O5S2 MW 579.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5S2/c1-18-5-10-23-29-25(31-14-12-30(13-15-31)19-6-8-20(38-2)9-7-19)21(26(36)33(23)17-18)16-22-27(37)32(28(39)40-22)11-3-4-24(34)35/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,34,35)/b22-16-InChIKey
WAXCWRLZGVSBDU-JWGURIENSA-NSynonyms
4((5Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)N4CCN(CC4)C5=CC=C(C=C5)OC)C=C1
COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CCCC(=O)O)C
InChI=1SC28H29N5O5S2c118510232925(31141230(131531)196820(382)9719)21(26(36)33(23)1718)162227(37)32(28(39)4022)113424(34)35h5101617H341115H212H3(H3435)b2216
MFCD06642880
ZINC000097946705
ZINC97946705
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