Vitas-M small molecule compound
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK218954
SMILES CCOc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)c1ccccc1
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-4-26-19-12-15(2)10-11-18(19)27-13-20-22-23-21(24(20)3)28-14-17(25)16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3InChIKey
WXOCQVMBKAFZDI-UHFFFAOYSA-NSynonyms
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5(2ETHOXY4METHYLPHENOXYMETHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1PHENYLETHANONE
CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H23N3O3Sc1426191215(2)101118(19)271320222321(24(20)3)281417(25)168657916h512H41314H213H3
MFCD06000480
ZINC000001075211
ZINC01075211
ZINC1075211
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