Vitas-M small molecule compound
2,6-dimethoxy-4-[(E)-(2-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl acetate
Catalog ID
STL407150
SMILES COc1cc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)cc(c1OC(=O)C)OC
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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 C29H28N4O6S2 MW 592.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O6S2/c1-17(34)39-26-21(37-2)13-18(14-22(26)38-3)15-30-32-24(35)16-40-29-31-27-25(20-11-7-8-12-23(20)41-27)28(36)33(29)19-9-5-4-6-10-19/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3,(H,32,35)/b30-15+InChIKey
PSYLTENJFFLABZ-FJEPWZHXSA-NSynonyms
(26dimethoxy4((E)((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl)acetate
(E)26dimethoxy4((2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)methyl)phenylacetate
26dimethoxy4((E)(2(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5)OC
COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)cc(c1OC(=O)C)OC
InChI=1SC29H28N4O6S2c117(34)392621(372)1318(1422(26)383)15303224(35)164029312725(2011781223(20)4127)28(36)33(29)1995461019h469101315H78111216H213H3(H3235)b3015+
MFCD03222338
ZINC000001858974
ZINC101422206
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.