Vitas-M small molecule compound
2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK807124
SMILES COc1cc(cc(c1OC)OC)c1nnc(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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-23-19(14-10-16(25-2)18(27-4)17(11-14)26-3)21-22-20(23)28-12-15(24)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3InChIKey
OCDWLKVAXPTBAJ-UHFFFAOYSA-NSynonyms
2((4METHYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4methyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)1phenylethanone
2(4METHYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC
InChI=1SC20H21N3O4Sc12319(141016(252)18(274)17(1114)263)212220(23)281215(24)138657913h511H12H214H3
MFCD02232461
ZINC000000873208
ZINC00873208
ZINC873208
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