Vitas-M small molecule compound
N-(4-acetylphenyl)-2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Catalog ID
STK720394
SMILES O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
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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 C28H25N5O2S3 MW 559.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O2S3/c1-17(34)19-11-13-20(14-12-19)29-23(35)16-37-28-32-31-25-24-21-9-5-6-10-22(21)38-26(24)30-27(33(25)28)36-15-18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,29,35)InChIKey
OHKIZGHWEVZISX-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)SCC6=CC=CC=C6
InChI=1SC28H25N5O2S3c117(34)19111320(141219)2923(35)16372832312524219561022(21)3826(24)3027(33(25)28)3615187324818h24781114H569101516H21H3(H2935)
MFCD04011678
N(4acetylphenyl)2((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetamide
N(4acetylphenyl)2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetamide
ZINC000001887023
ZINC01887023
ZINC1887023
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