Vitas-M small molecule compound
1-{5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(morpholin-4-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone
Catalog ID
STK758463
SMILES Clc1ccc(cc1)N1N=C(N(C1c1ccc2c(c1)OCO2)c1ccc(cc1)N1CCOCC1)C(=O)C
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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 C27H25ClN4O4 MW 504.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O4/c1-18(33)26-29-32(23-5-3-20(28)4-6-23)27(19-2-11-24-25(16-19)36-17-35-24)31(26)22-9-7-21(8-10-22)30-12-14-34-15-13-30/h2-11,16,27H,12-15,17H2,1H3InChIKey
ZHGBQVGROHFQAL-UHFFFAOYSA-NSynonyms
1(3(13BENZODIOXOL5YL)2(4CHLOROPHENYL)4(4MORPHOLIN4YLPHENYL)3H124TRIAZOL5YL)ETHANONE
1(5(13benzodioxol5yl)1(4chlorophenyl)4(4(morpholin4yl)phenyl)45dihydro1H124triazol3yl)ethanone
CC(=O)C1=NN(C(N1C2=CC=C(C=C2)N3CCOCC3)C4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)Cl
InChI=1SC27H25ClN4O4c118(33)262932(235320(28)4623)27(192112425(1619)36173524)31(26)229721(81022)30121434151330h2111627H121517H21H3
MFCD01414975
ZINC000008853595
ZINC000008855032
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