Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Catalog ID
STL406125
SMILES CCN(C(=O)CSc1nnc(n1c1ccccc1)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 C23H26N4O3S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3S/c1-3-26(4-2)21(28)16-31-23-25-24-22(27(23)18-9-6-5-7-10-18)17-11-12-19-20(15-17)30-14-8-13-29-19/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3InChIKey
UVZHJHNCUNNGOV-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)NNdiethylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)NNdiethylacetamide
CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC23H26N4O3Sc1326(42)21(28)163123252422(27(23)1896571018)1711121920(1517)30148132919h5791215H348131416H212H3
MFCD27221088
ZINC000064987174
ZINC64987174
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