Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide

Catalog ID
STK570703
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)nc(n2)C)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 C28H33N7O3S2 MW 579.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N7O3S2/c1-7-35-26(20-8-10-21(11-9-20)28(4,5)6)32-33-27(35)39-17-25(36)31-22-12-14-23(15-13-22)40(37,38)34-24-16-18(2)29-19(3)30-24/h8-16H,7,17H2,1-6H3,(H,31,36)(H,29,30,34)
InChIKey
TVLZGIVQUYUQLK-UHFFFAOYSA-N
Synonyms

2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(4(N(26dimethylpyrimidin4yl)sulfamoyl)phenyl)acetamide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4((26DIMETHYLPYRIMIDIN4YL)SULFAMOYL)PHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4ethyl4H124triazol3yl)sulfanyl)N(4((26dimethylpyrimidin4yl)sulfamoyl)phenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))N(4(((26DIMETHYLPYRIMIDIN4YL)AMINO)SULFONYL)PHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H33N7O3S2c173526(2081021(11920)28(45)6)323327(35)391725(36)3122121423(151322)40(3738)34241618(2)2919(3)3024h816H717H216H3(H3136)(H293034)
MFCD05733169
ZINC000001884999
ZINC01884999
ZINC1884999

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Available files

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