Vitas-M small molecule compound

4-tert-butyl-N-{5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide

Catalog ID
STK375835
SMILES Cc1ccc(cc1)OCc1nnc(s1)NC(=O)c1ccc(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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-14-5-11-17(12-6-14)26-13-18-23-24-20(27-18)22-19(25)15-7-9-16(10-8-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,24,25)
InChIKey
USVMQKXUWRLJKG-UHFFFAOYSA-N
Synonyms

(4(TERTBUTYL)PHENYL)N(5((4METHYLPHENOXY)METHYL)(134THIADIAZOL2YL))CARBOXAMIDE
4tertbutylN(5((4methylphenoxy)methyl)134thiadiazol2yl)benzamide
4TERTBUTYLN(5PTOLYLOXYMETHYL(134)THIADIAZOL2YL)BENZAMIDE
CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC21H23N3O2Sc11451117(12614)261318232420(2718)2219(25)157916(10815)21(23)4h512H13H214H3(H222425)
MFCD01131088
ZINC000000715000
ZINC00715000
ZINC715000

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Available files

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