Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Catalog ID
STK498130
SMILES C=CCn1c(SCC(=O)N2CCOCC2)nnc1c1ccc2c(c1)OCO2
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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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-2-5-22-17(13-3-4-14-15(10-13)26-12-25-14)19-20-18(22)27-11-16(23)21-6-8-24-9-7-21/h2-4,10H,1,5-9,11-12H2InChIKey
KZBDKFHODJXVOC-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
2((5(13benzodioxol5yl)4prop2enyl124triazol3yl)sulfanyl)1morpholin4ylethanone
C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC4=C(C=C3)OCO4
InChI=1SC18H20N4O4Sc1252217(13341415(1013)26122514)192018(22)271116(23)2168249721h2410H1591112H2
MFCD11855299
ZINC000032579565
ZINC32579565
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