Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Catalog ID
STL406149
SMILES CCc1ccc(cc1)NC(=O)CSc1nnc(n1CC)Cc1ccc2c(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 C24H28N4O3S MW 452.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3S/c1-3-17-6-9-19(10-7-17)25-23(29)16-32-24-27-26-22(28(24)4-2)15-18-8-11-20-21(14-18)31-13-5-12-30-20/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,29)InChIKey
ZLOPKWOICBHPRV-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl124triazol3yl)sulfanyl)N(4ethylphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl4H124triazol3yl)sulfanyl)N(4ethylphenyl)acetamide
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC24H28N4O3Sc13176919(10717)2523(29)163224272622(28(24)42)15188112021(1418)31135123020h61114H3512131516H212H3(H2529)
MFCD30704415
ZINC000101161066
ZINC101161066
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