Vitas-M small molecule compound
2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK218956
SMILES CCc1ccc(cc1)OC(c1nnc(n1C)SCC(=O)c1ccccc1)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-4-16-10-12-18(13-11-16)26-15(2)20-22-23-21(24(20)3)27-14-19(25)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3InChIKey
NGBPUQABZCOTHQ-UHFFFAOYSA-NSynonyms
2((5((1R)1(4ETHYLPHENOXY)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5((1S)1(4ETHYLPHENOXY)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(1(4ETHYLPHENOXY)ETHYL)4METHYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(1(4ETHYLPHENOXY)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H23N3O2Sc1416101218(131116)2615(2)20222321(24(20)3)271419(25)178657917h51315H414H213H3
MFCD06000489
ZINC000001075249
ZINC000001075251
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