Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide

Catalog ID
STL299143
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nnc1c1ccc(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 C29H30N4O2S MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O2S/c1-5-19-33-27(21-11-13-22(14-12-21)29(2,3)4)31-32-28(33)36-20-26(34)30-23-15-17-25(18-16-23)35-24-9-7-6-8-10-24/h5-18H,1,19-20H2,2-4H3,(H,30,34)
InChIKey
QBFFVJAHLQUXCO-UHFFFAOYSA-N
Synonyms
862116-07-2
2((4allyl5(4(tertbutyl)phenyl)4H124triazol3yl)thio)N(4phenoxyphenyl)acetamide
2((5(4tertbutylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4phenoxyphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)N(4PHENOXYPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4PHENOXYPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(4PHENOXYPHENYL)ACETAMIDE
862116072
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI=1SC29H30N4O2Sc15193327(21111322(141221)29(23)4)313228(33)362026(34)3023151725(181623)352497681024h518H11920H224H3(H3034)
MFCD05687019
ZINC000009498236
ZINC09498236
ZINC9498236

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Available files

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