Vitas-M small molecule compound
5-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK882833
SMILES COCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)c2ccc(cc2)OC)C)/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 C26H29N5O4S2 MW 539.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O4S2/c1-17-20(15-22-25(33)31(13-14-34-3)26(36)37-22)23(28(2)24(32)21(17)16-27)30-11-9-29(10-12-30)18-5-7-19(35-4)8-6-18/h5-8,15H,9-14H2,1-4H3/b22-15-InChIKey
AMKUFNCQZMCCRM-JCMHNJIXSA-NSynonyms
5((Z)(3(2methoxyethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)6(4(4methoxyphenyl)piperazin1yl)14dimethyl2oxopyridine3carbonitrile
5((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)6(4(4methoxyphenyl)piperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCOC)N3CCN(CC3)C4=CC=C(C=C4)OC)C)C#N
COCCN1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)c2ccc(cc2)OC)C)C1=O
InChI=1SC26H29N5O4S2c11720(152225(33)31(1314343)26(36)3722)23(28(2)24(32)21(17)1627)3011929(101230)185719(354)8618h5815H914H214H3b2215
MFCD06646460
ZINC000097946803
ZINC97946803
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