Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STL336558
SMILES CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1c1cccnc1

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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 C24H20N4O4S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S/c1-2-30-19-8-6-18(7-9-19)28-23(17-4-3-11-25-13-17)26-27-24(28)33-14-20(29)16-5-10-21-22(12-16)32-15-31-21/h3-13H,2,14-15H2,1H3
InChIKey
QLTPXDQWEVYGRS-UHFFFAOYSA-N
Synonyms
618432-46-5
1(13benzodioxol5yl)2((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)ethanone
1(13BENZODIOXOL5YL)2((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(2H13BENZODIOXOL5YL)2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(2HBENZO(34D)13DIOXOLEN5YL)2(4(4ETHOXYPHENYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
1(BENZO(D)(13)DIOXOL5YL)2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)ETHANONE
618432465
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5
InChI=1SC24H20N4O4Sc1230198618(7919)2823(174311251317)262724(28)331420(29)165102122(1216)32153121h313H21415H21H3
MFCD03225104
ZINC000002378005
ZINC02378005
ZINC2378005

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Available files

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