Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK587295
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

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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 C23H20N4O3S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S2/c1-15-4-7-17(8-5-15)27-21(12-18-3-2-10-31-18)25-26-23(27)32-13-22(28)24-16-6-9-19-20(11-16)30-14-29-19/h2-11H,12-14H2,1H3,(H,24,28)
InChIKey
WJONRXICXUHUFO-UHFFFAOYSA-N
Synonyms
896840-55-4
896840554
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CS5
InChI=1SC23H20N4O3S2c1154717(8515)2721(121832103118)252623(27)321322(28)2416691920(1116)30142919h211H1214H21H3(H2428)
MFCD06601399
N(13BENZODIOXOL5YL)2((4(4METHYLPHENYL)5(THIOPHEN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((4(4methylphenyl)5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(2H13BENZODIOXOL5YL)2((4(4METHYLPHENYL)5(THIOPHEN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(4(4METHYLPHENYL)5(2THIENYLMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((5(thiophen2ylmethyl)4(ptolyl)4H124triazol3yl)thio)acetamide
ZINC000002228482
ZINC02228482
ZINC2228482

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Available files

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