Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

Catalog ID
STK008981
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nnc1c1ccc(cc1)C(C)(C)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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-28(2,3)20-8-6-19(7-9-20)26-30-31-27(32(26)22-12-16-24(35-5)17-13-22)36-18-25(33)29-21-10-14-23(34-4)15-11-21/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey
NUPZVGPTRHQMCP-UHFFFAOYSA-N
Synonyms
499103-06-9
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(4methoxyphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(4METHOXYPHENYL)ACETAMIDE
499103069
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)OC
COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H30N4O3Sc128(23)208619(7920)26303127(32(26)22121624(355)171322)361825(33)2921101423(344)151121h617H18H215H3(H2933)
MFCD03223969
STK008981
ZINC000001814858
ZINC01814858
ZINC1814858

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.