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}-N,N-diethylacetamide
Catalog ID
STL406178
SMILES CCN(C(=O)CSc1nnc(n1C(C)C)c1ccc2c(c1)OCCCO2)CC
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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 C20H28N4O3S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O3S/c1-5-23(6-2)18(25)13-28-20-22-21-19(24(20)14(3)4)15-8-9-16-17(12-15)27-11-7-10-26-16/h8-9,12,14H,5-7,10-11,13H2,1-4H3InChIKey
JHBBTLCCSGYFNI-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)NNdiethylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)NNdiethylacetamide
CCN(CC)C(=O)CSC1=NN=C(N1C(C)C)C2=CC3=C(C=C2)OCCCO3
InChI=1SC20H28N4O3Sc1523(62)18(25)132820222119(24(20)14(3)4)15891617(1215)27117102616h891214H57101113H214H3
MFCD27220708
ZINC000064986913
ZINC64986913
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