Vitas-M small molecule compound
2-methoxy-4-{(Z)-[2-({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
Catalog ID
STK722872
SMILES COc1cc(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccc(cc2)C)CCCC4)ccc1OC(=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 C29H28N4O5S2 MW 576.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5S2/c1-17-8-11-20(12-9-17)33-28(36)26-21-6-4-5-7-24(21)40-27(26)31-29(33)39-16-25(35)32-30-15-19-10-13-22(38-18(2)34)23(14-19)37-3/h8-15H,4-7,16H2,1-3H3,(H,32,35)/b30-15-InChIKey
DBMUVYLRCBOECV-MNDYBZJGSA-NSynonyms
(2methoxy4((Z)((2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl)acetate
(E)2methoxy4((2(2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)methyl)phenylacetate
2methoxy4((Z)(2(((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenylacetate
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC(=C(C=C4)OC(=O)C)OC)SC5=C3CCCC5
COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccc(cc2)C)CCCC4)ccc1OC(=O)C
InChI=1SC29H28N4O5S2c11781120(12917)3328(36)2621645724(21)4027(26)3129(33)391625(35)32301519101322(3818(2)34)23(1419)373h815H4716H213H3(H3235)b3015
MFCD03217665
ZINC000100852566
ZINC01870964
ZINC1870964
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.