Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Catalog ID
STL415927
SMILES O=C(N1CCOCC1)CSc1nnc(n1C(C)C)c1ccc2c(c1)OCCCO2
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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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-14(2)24-19(15-4-5-16-17(12-15)28-9-3-8-27-16)21-22-20(24)29-13-18(25)23-6-10-26-11-7-23/h4-5,12,14H,3,6-11,13H2,1-2H3InChIKey
GCDFXQZZONKIJJ-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)1morpholin4ylethanone
CC(C)N1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H26N4O4Sc114(2)2419(15451617(1215)289382716)212220(24)291318(25)236102611723h451214H361113H212H3
MFCD15078964
ZINC000033087539
ZINC33087539
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