Vitas-M small molecule compound
N-(3-acetylphenyl)-2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK231024
SMILES O=C(Nc1cccc(c1)C(=O)C)CSc1nnc(n1C)c1ccc2c(c1)OCO2
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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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-12(25)13-4-3-5-15(8-13)21-18(26)10-29-20-23-22-19(24(20)2)14-6-7-16-17(9-14)28-11-27-16/h3-9H,10-11H2,1-2H3,(H,21,26)InChIKey
ZMDMFKOPQZGDLG-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3)OCO4
InChI=1SC20H18N4O4Sc112(25)1343515(813)2118(26)102920232219(24(20)2)14671617(914)28112716h39H1011H212H3(H2126)
MFCD07791816
N(3ACETYLPHENYL)2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3acetylphenyl)2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000004736400
ZINC04736400
ZINC4736400
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