Vitas-M small molecule compound

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

Catalog ID
STK594719
SMILES CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(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/c1-3-4-5-20-6-10-22(11-7-20)30-27(34)19-37-28-32-31-26(18-36-25-14-8-21(29)9-15-25)33(28)23-12-16-24(35-2)17-13-23/h6-17H,3-5,18-19H2,1-2H3,(H,30,34)
InChIKey
IWZJKNTXNJVDJN-UHFFFAOYSA-N
Synonyms
861651-41-4
861651414
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=C(C=C4)Cl
InChI=1SC28H29ClN4O3Sc13452061022(11720)3027(34)193728323126(18362514821(29)91525)33(28)23121624(352)171323h617H351819H212H3(H3034)
MFCD05686467
N(4BUTYLPHENYL)2((5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4butylphenyl)2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(4butylphenyl)2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetamide
N(4BUTYLPHENYL)2((5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BUTYLPHENYL)2(5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000097958410
ZINC97958410

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Available files

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