Vitas-M small molecule compound

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

Catalog ID
STK597515
SMILES O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)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 C27H30N4O3S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3S/c1-19-11-13-20(14-12-19)34-17-24-29-30-26(31(24)16-21-8-7-15-33-21)35-18-25(32)28-23-10-6-5-9-22(23)27(2,3)4/h5-15H,16-18H2,1-4H3,(H,28,32)
InChIKey
RHZDQKFEIHPYFD-UHFFFAOYSA-N
Synonyms
900266-45-7
900266457
CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=CC=C4C(C)(C)C
InChI=1SC27H30N4O3Sc119111320(141219)341724293026(31(24)162187153321)351825(32)28231065922(23)27(23)4h515H1618H214H3(H2832)
MFCD06611831
N(2(tertbutyl)phenyl)2((4(furan2ylmethyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamide
N(2(TERTBUTYL)PHENYL)2(4(2FURYLMETHYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(2TERTBUTYLPHENYL)2((4(FURAN2YLMETHYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2tertbutylphenyl)2((4(furan2ylmethyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(2TERTBUTYLPHENYL)2((4(FURAN2YLMETHYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002354954
ZINC02354954
ZINC2354954

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Available files

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