Vitas-M small molecule compound

N'-[(E)-(4-ethoxy-3-methoxyphenyl)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
STL307968
SMILES CCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

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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 C28H28N4O4S2 MW 548.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S2/c1-3-36-21-14-13-18(15-22(21)35-2)16-29-31-24(33)17-37-28-30-26-25(20-11-7-8-12-23(20)38-26)27(34)32(28)19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12,17H2,1-2H3,(H,31,33)/b29-16+
InChIKey
PBGYTWDKOIFMKJ-MUFRIFMGSA-N
Synonyms
497168-93-1
(E)N(4ethoxy3methoxybenzylidene)2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
497168931
CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5)OC
CCOc1ccc(cc1OC)C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3
InChI=1SC28H28N4O4S2c133621141318(1522(21)352)16293124(33)173728302625(2011781223(20)3826)27(34)32(28)1995461019h469101316H378111217H212H3(H3133)b2916+
MFCD03222401
N((E)(4ethoxy3methoxyphenyl)methylidene)2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((E)(4ethoxy3methoxyphenyl)methylideneamino)2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002215206
ZINC101422152

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Available files

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