Vitas-M small molecule compound
2-methoxy-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
STL036375
SMILES COc1cc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)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 C28H26N4O5S2 MW 562.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O5S2/c1-17(33)37-21-13-12-18(14-22(21)36-2)15-29-31-24(34)16-38-28-30-26-25(20-10-6-7-11-23(20)39-26)27(35)32(28)19-8-4-3-5-9-19/h3-5,8-9,12-15H,6-7,10-11,16H2,1-2H3,(H,31,34)/b29-15+InChIKey
DFRUKUFYLLIMCG-WKULSOCRSA-NSynonyms
(2methoxy4((E)((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl)acetate
(E)2methoxy4((2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)methyl)phenylacetate
2methoxy4((E)(2(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenylacetate
CC(=O)OC1=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(=O)C
InChI=1SC28H26N4O5S2c117(33)3721131218(1422(21)362)15293124(34)163828302625(2010671123(20)3926)27(35)32(28)198435919h35891215H67101116H212H3(H3134)b2915+
MFCD03222402
ZINC000001884992
ZINC102947711
Check stock
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Check stock on Vitas-MAvailable files
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