Vitas-M small molecule compound
2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STK722875
SMILES COc1cc(OC)c(cc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)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 C28H28N4O5S2 MW 564.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O5S2/c1-35-20-14-22(37-3)21(36-2)13-17(20)15-29-31-24(33)16-38-28-30-26-25(19-11-7-8-12-23(19)39-26)27(34)32(28)18-9-5-4-6-10-18/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3,(H,31,33)/b29-15+InChIKey
JNPZGAMGPCTMLP-WKULSOCRSA-NSynonyms
(E)2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(245trimethoxybenzylidene)acetohydrazide
2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N((E)(245trimethoxyphenyl)methylidene)acetohydrazide
2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((E)(245trimethoxyphenyl)methylideneamino)acetamide
COC1=CC(=C(C=C1C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5)OC)OC
COc1cc(OC)c(cc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)OC
InChI=1SC28H28N4O5S2c135201422(373)21(362)1317(20)15293124(33)163828302625(1911781223(19)3926)27(34)32(28)1895461018h469101315H78111216H213H3(H3133)b2915+
MFCD03222337
ZINC000001886035
ZINC102642178
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