Vitas-M small molecule compound
1-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK346600
SMILES CCc1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1nnc(n1C)CN1CCOCC1
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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 C24H31N5O2S MW 453.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O2S/c1-5-19-6-8-20(9-7-19)29-17(2)14-21(18(29)3)22(30)16-32-24-26-25-23(27(24)4)15-28-10-12-31-13-11-28/h6-9,14H,5,10-13,15-16H2,1-4H3InChIKey
HOCWROQBWWUHPZ-UHFFFAOYSA-NSynonyms
1(1(4ethylphenyl)25dimethyl1Hpyrrol3yl)2((4methyl5(morpholin4ylmethyl)4H124triazol3yl)sulfanyl)ethanone
1(1(4ethylphenyl)25dimethylpyrrol3yl)2((4methyl5(morpholin4ylmethyl)124triazol3yl)sulfanyl)ethanone
CCC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3C)CN4CCOCC4)C
InChI=1SC24H31N5O2Sc15196820(9719)2917(2)1421(18(29)3)22(30)163224262523(27(24)4)1528101231131128h6914H510131516H214H3
MFCD11851383
ZINC000012859944
ZINC12859944
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