Vitas-M small molecule compound

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

Catalog ID
STL051373
SMILES COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc2c(c1)OCO2

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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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-29-17-5-2-4-15(10-17)22-25-26-23(27(22)12-18-6-3-9-30-18)33-13-21(28)24-16-7-8-19-20(11-16)32-14-31-19/h2-11H,12-14H2,1H3,(H,24,28)
InChIKey
OALZTGKEAKSEKQ-UHFFFAOYSA-N
Synonyms
861116-70-3
861116703
COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC23H20N4O5Sc1291752415(1017)22252623(27(22)12186393018)331321(28)2416781920(1116)32143119h211H1214H21H3(H2428)
MFCD05682948
N(13BENZODIOXOL5YL)2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(2H13BENZODIOXOL5YL)2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(4(2FURYLMETHYL)5(3METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)thio)acetamide
ZINC000003440075
ZINC03440075
ZINC3440075

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Available files

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