Vitas-M small molecule compound

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

Catalog ID
STL341205
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1Cc1ccco1)c1ccncc1

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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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c27-19(23-15-3-4-17-18(10-15)30-13-29-17)12-31-21-25-24-20(14-5-7-22-8-6-14)26(21)11-16-2-1-9-28-16/h1-10H,11-13H2,(H,23,27)
InChIKey
JHIPALITTNOYFR-UHFFFAOYSA-N
Synonyms
578757-42-3
578757423
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=NC=C5
InChI=1SC21H17N5O4Sc2719(2315341718(1015)30132917)123121252420(1457228614)26(21)11162192816h110H1113H2(H2327)
MFCD04025653
N(13benzodioxol5yl)2((4(furan2ylmethyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamide
N(13BENZODIOXOL5YL)2((4(FURAN2YLMETHYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2H13BENZODIOXOL5YL)2((4(FURAN2YLMETHYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(4(2FURYLMETHYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((4(furan2ylmethyl)5(pyridin4yl)4H124triazol3yl)thio)acetamide
ZINC000002374330
ZINC02374330
ZINC2374330

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Available files

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