Vitas-M small molecule compound
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Catalog ID
STL307952
SMILES COc1cc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)ccc1OC
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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 C27H26N4O4S2 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S2/c1-34-20-13-12-17(14-21(20)35-2)15-28-30-23(32)16-36-27-29-25-24(19-10-6-7-11-22(19)37-25)26(33)31(27)18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16H2,1-2H3,(H,30,32)/b28-15+InChIKey
HECPVVBXSQRRLA-RWPZCVJISA-NSynonyms
497168-64-6(E)N(34dimethoxybenzylidene)2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
497168646
COC1=C(C=C(C=C1)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)ccc1OC
InChI=1SC27H26N4O4S2c13420131217(1421(20)352)15283023(32)163627292524(1910671122(19)3725)26(33)31(27)188435918h35891215H67101116H212H3(H3032)b2815+
MFCD03222368
N((E)(34dimethoxyphenyl)methylidene)2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((E)(34dimethoxyphenyl)methylideneamino)2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002209775
ZINC101422184
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