Vitas-M small molecule compound

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

Catalog ID
STK597752
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccc(cc1)Cl

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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 C28H29ClN4O3S MW 537.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O3S/c1-28(2,3)23-7-5-6-8-24(23)30-26(34)18-37-27-32-31-25(17-36-22-13-9-19(29)10-14-22)33(27)20-11-15-21(35-4)16-12-20/h5-16H,17-18H2,1-4H3,(H,30,34)
InChIKey
FNPWDSRXVPNXJI-UHFFFAOYSA-N
Synonyms
861634-12-0
861634120
CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=C(C=C4)Cl
InChI=1SC28H29ClN4O3Sc128(23)23756824(23)3026(34)183727323125(17362213919(29)101422)33(27)20111521(354)161220h516H1718H214H3(H3034)
MFCD05685131
N(2(tertbutyl)phenyl)2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetamide
N(2(TERTBUTYL)PHENYL)2(5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(2TERTBUTYLPHENYL)2((5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2tertbutylphenyl)2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(2TERTBUTYLPHENYL)2((5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000097958403
ZINC97958403

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Available files

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