Vitas-M small molecule compound
2-({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-benzoxadiazepin-5(4H)-one
Catalog ID
STK357481
SMILES C=CCn1c(SCC2=NNC(=O)c3c(O2)cccc3)nnc1c1ccncc1
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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 C19H16N6O2S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O2S/c1-2-11-25-17(13-7-9-20-10-8-13)22-24-19(25)28-12-16-21-23-18(26)14-5-3-4-6-15(14)27-16/h2-10H,1,11-12H2,(H,23,26)InChIKey
OWKMAJMIVQGHKL-UHFFFAOYSA-NSynonyms
948140-86-12(((4(prop2en1yl)5(pyridin4yl)4H124triazol3yl)sulfanyl)methyl)134benzoxadiazepin5(4H)one
2((4prop2enyl5pyridin4yl124triazol3yl)sulfanylmethyl)4H134benzoxadiazepin5one
C=CCN1C(=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=NC=C4
InChI=1SC19H16N6O2Sc12112517(13792010813)222419(25)281216212318(26)14534615(14)2716h210H11112H2(H2326)
MFCD11695960
ZINC09145518
ZINC9145518
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