Vitas-M small molecule compound
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Catalog ID
STK697428
SMILES COCCn1c(C)cc(c1C)C(=O)CSc1nnc(n1C)Cc1ccccc1
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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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-15-12-18(16(2)25(15)10-11-27-4)19(26)14-28-21-23-22-20(24(21)3)13-17-8-6-5-7-9-17/h5-9,12H,10-11,13-14H2,1-4H3InChIKey
BRBZWXWGTZQWMW-UHFFFAOYSA-NSynonyms
876692-48-72((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)1(1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)ETHANONE
2((5benzyl4methyl4H124triazol3yl)sulfanyl)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
2((5benzyl4methyl4H124triazol3yl)thio)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
876692487
CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3
InChI=1SC21H26N4O2Sc1151218(16(2)25(15)1011274)19(26)142821232220(24(21)3)13178657917h5912H10111314H214H3
MFCD07222726
ZINC000005498993
ZINC05498993
ZINC5498993
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