Vitas-M small molecule compound

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

Catalog ID
STL339388
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1Cc1ccco1)c1ccco1

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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 C20H16N4O5S MW 424.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O5S/c25-18(21-13-5-6-15-17(9-13)29-12-28-15)11-30-20-23-22-19(16-4-2-8-27-16)24(20)10-14-3-1-7-26-14/h1-9H,10-12H2,(H,21,25)
InChIKey
CWFOJPSYSFWCSF-UHFFFAOYSA-N
Synonyms
677011-74-4
677011744
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CO5
InChI=1SC20H16N4O5Sc2518(2113561517(913)29122815)113020232219(164282716)24(20)10143172614h19H1012H2(H2125)
MFCD04011038
N(13BENZODIOXOL5YL)2((5(FURAN2YL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((5(furan2yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(2H13BENZODIOXOL5YL)2((5(FURAN2YL)4(FURAN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(5(2FURYL)4(2FURYLMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((5(furan2yl)4(furan2ylmethyl)4H124triazol3yl)thio)acetamide
ZINC000001057968
ZINC01057968
ZINC1057968

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Available files

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