Vitas-M small molecule compound
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-({4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK219157
SMILES O=C(Nc1sc(c(n1)C)C)CSc1nnc(n1C)COc1ccc2c(c1)CCCC2
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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 C21H25N5O2S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S2/c1-13-14(2)30-20(22-13)23-19(27)12-29-21-25-24-18(26(21)3)11-28-17-9-8-15-6-4-5-7-16(15)10-17/h8-10H,4-7,11-12H2,1-3H3,(H,22,23,27)InChIKey
PSFYRSGKPIMLCI-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)COC3=CC4=C(CCCC4)C=C3)C
InChI=1SC21H25N5O2S2c11314(2)3020(2213)2319(27)122921252418(26(21)3)1128179815645716(15)1017h810H471112H213H3(H222327)
MFCD07399608
N(45dimethyl13thiazol2yl)2((4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(45dimethyl13thiazol2yl)2((4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)acetamide
ZINC000009302481
ZINC09302481
ZINC9302481
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