Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK221650
SMILES COc1cccc2c1oc(c2)c1nnc(n1C)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 C21H18N4O5S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S/c1-25-20(17-8-12-4-3-5-15(27-2)19(12)30-17)23-24-21(25)31-10-18(26)22-13-6-7-14-16(9-13)29-11-28-14/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKey
RVLJKPUHIZBKNC-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC5=C(O4)C(=CC=C5)OC
InChI=1SC21H18N4O5Sc12520(1781243515(272)19(12)3017)232421(25)311018(26)2213671416(913)29112814h39H1011H212H3(H2226)
MFCD07399195
N(13BENZODIOXOL5YL)2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
NBENZO(13)DIOXOL5YL2(5(7METHOXYBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000009263514
ZINC09263514
ZINC9263514

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Available files

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