Vitas-M small molecule compound
2-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-benzoxadiazepin-5(4H)-one
Catalog ID
STK357485
SMILES C=CCn1c(SCC2=NNC(=O)c3c(O2)cccc3)nnc1c1ccc(cc1)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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-3-12-26-19(14-8-10-15(28-2)11-9-14)23-25-21(26)30-13-18-22-24-20(27)16-6-4-5-7-17(16)29-18/h3-11H,1,12-13H2,2H3,(H,24,27)InChIKey
KYBRFGXAGFHRFA-UHFFFAOYSA-NSynonyms
948257-32-72(((5(4methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)134benzoxadiazepin5(4H)one
2((5(4methoxyphenyl)4prop2enyl124triazol3yl)sulfanylmethyl)4H134benzoxadiazepin5one
COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NNC(=O)C4=CC=CC=C4O3
InChI=1SC21H19N5O3Sc13122619(1481015(282)11914)232521(26)301318222420(27)16645717(16)2918h311H11213H22H3(H2427)
MFCD11695964
ZINC09145212
ZINC9145212
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