Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-{[4-methyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406172
SMILES O=C(NCc1ccc2c(c1)OCCCO2)CSc1nnc(n1C)Cc1cccs1
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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(11-15-4-2-9-28-15)22-23-20(24)29-13-19(25)21-12-14-5-6-16-17(10-14)27-8-3-7-26-16/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H,21,25)InChIKey
CIMXLBHHDWKFJZ-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCCCO3)CC4=CC=CS4
InChI=1SC20H22N4O3S2c12418(11154292815)222320(24)291319(25)211214561617(1014)278372616h246910H3781113H21H3(H2125)
MFCD27221027
N(34dihydro2H15benzodioxepin7ylmethyl)2((4methyl5(thiophen2ylmethyl)124triazol3yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7ylmethyl)2((4methyl5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987117
ZINC64987117
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