Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(thiophen-2-ylmethyl)acetamide
Catalog ID
STL415907
SMILES O=C(NCc1cccs1)CSc1nnc(n1C)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 C20H22N4O3S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S2/c1-24-18(11-14-5-6-16-17(10-14)27-8-3-7-26-16)22-23-20(24)29-13-19(25)21-12-15-4-2-9-28-15/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H,21,25)InChIKey
HDDKPMCQTLKWBW-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl124triazol3yl)sulfanyl)N(thiophen2ylmethyl)acetamide
2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl4H124triazol3yl)sulfanyl)N(thiophen2ylmethyl)acetamide
CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC20H22N4O3S2c12418(1114561617(1014)278372616)222320(24)291319(25)2112154292815h246910H3781113H21H3(H2125)
MFCD30706869
ZINC000101160950
ZINC101160950
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