Vitas-M small molecule compound
2-({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-benzoxadiazepin-5(4H)-one
Catalog ID
STK357482
SMILES C=CCn1c(SCC2=NNC(=O)c3c(O2)cccc3)nnc1c1ccccc1
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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 C20H17N5O2S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O2S/c1-2-12-25-18(14-8-4-3-5-9-14)22-24-20(25)28-13-17-21-23-19(26)15-10-6-7-11-16(15)27-17/h2-11H,1,12-13H2,(H,23,26)InChIKey
TUVLXHIEZCHLMH-UHFFFAOYSA-NSynonyms
948155-05-32(((5phenyl4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)134benzoxadiazepin5(4H)one
2((5phenyl4prop2enyl124triazol3yl)sulfanylmethyl)4H134benzoxadiazepin5one
C=CCN1C(=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=CC=C4
InChI=1SC20H17N5O2Sc12122518(148435914)222420(25)281317212319(26)1510671116(15)2717h211H11213H2(H2326)
MFCD11695961
ZINC09145319
ZINC9145319
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