Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK807292
SMILES CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccccc1
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-2-23-19(11-25-15-8-9-17-18(10-15)27-13-26-17)21-22-20(23)28-12-16(24)14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3InChIKey
CIEJZAYSZJJXEW-UHFFFAOYSA-NSynonyms
2((5((13benzodioxol5yloxy)methyl)4ethyl4H124triazol3yl)sulfanyl)1phenylethanone
2((5((13BENZODIOXOL5YLOXY)METHYL)4ETHYL4H124TRIAZOL3YL)THIO)1PHENYLETHANONE
2((5(13BENZODIOXOL5YLOXYMETHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4ETHYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4
InChI=1SC20H19N3O4Sc122319(112515891718(1015)27132617)212220(23)281216(24)146435714h310H21113H21H3
MFCD03837979
ZINC000000702911
ZINC00702911
ZINC702911
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