Vitas-M small molecule compound
1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK804253
SMILES COCCn1c(C)cc(c1C)C(=O)CSc1nnc(n1C)c1ccc(cc1)OC
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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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-14-12-18(15(2)25(14)10-11-27-4)19(26)13-29-21-23-22-20(24(21)3)16-6-8-17(28-5)9-7-16/h6-9,12H,10-11,13H2,1-5H3InChIKey
LZGRXUPQGJFQND-UHFFFAOYSA-NSynonyms
929824-63-51(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)2((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)ethanone
1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)2((5(4methoxyphenyl)4methyl4H124triazol3yl)thio)ethanone
1(1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
929824635
CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC
InChI=1SC21H26N4O3Sc1141218(15(2)25(14)1011274)19(26)132921232220(24(21)3)166817(285)9716h6912H101113H215H3
MFCD07247949
ZINC000003568888
ZINC03568888
ZINC3568888
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