Vitas-M small molecule compound

N-[4-(diethylamino)phenyl]-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK574186
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1COc1ccc(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 C25H31N5O2S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S/c1-5-16-30-23(17-32-22-14-8-19(4)9-15-22)27-28-25(30)33-18-24(31)26-20-10-12-21(13-11-20)29(6-2)7-3/h5,8-15H,1,6-7,16-18H2,2-4H3,(H,26,31)
InChIKey
SXIREPJDDBNLLR-UHFFFAOYSA-N
Synonyms
900276-70-2
2((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)N(4(diethylamino)phenyl)acetamide
900276702
CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)C
InChI=1SC25H31N5O2Sc15163023(17322214819(4)91522)272825(30)331824(31)2620101221(131120)29(62)73h5815H1671618H224H3(H2631)
MFCD06612067
N(4(diethylamino)phenyl)2((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(4(DIETHYLAMINO)PHENYL)2((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4(DIETHYLAMINO)PHENYL)2((5(4METHYLPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4(DIETHYLAMINO)PHENYL)2(5((4METHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009240690
ZINC09240690
ZINC9240690

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Available files

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