Vitas-M small molecule compound

2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

Catalog ID
STL186105
SMILES O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccccc1)COc1ccc(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 C28H29ClN4O2S MW 521.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O2S/c1-19-23(29)11-8-12-24(19)30-26(34)18-36-27-32-31-25(33(27)21-9-6-5-7-10-21)17-35-22-15-13-20(14-16-22)28(2,3)4/h5-16H,17-18H2,1-4H3,(H,30,34)
InChIKey
XPNDUGMQMVZBPR-UHFFFAOYSA-N
Synonyms
539811-03-5
2((5((4(TERTBUTYL)PHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL)THIO)N(3CHLORO2METHYLPHENYL)ACETAMIDE
2((5((4TERTBUTYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(3CHLORO2METHYLPHENYL)ACETAMIDE
2((5((4tertbutylphenoxy)methyl)4phenyl4H124triazol3yl)sulfanyl)N(3chloro2methylphenyl)acetamide
539811035
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H29ClN4O2Sc11923(29)1181224(19)3026(34)183627323125(33(27)2196571021)173522151320(141622)28(23)4h516H1718H214H3(H3034)
MFCD05154909
ZINC000002544693
ZINC02544693
ZINC2544693

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Available files

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