Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL226805
SMILES O=C(CSc1nnc(n1c1ccccc1)c1cccnc1)NCc1ccc2c(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 C23H19N5O3S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O3S/c29-21(25-12-16-8-9-19-20(11-16)31-15-30-19)14-32-23-27-26-22(17-5-4-10-24-13-17)28(23)18-6-2-1-3-7-18/h1-11,13H,12,14-15H2,(H,25,29)InChIKey
CWHNAWOFOCNJCS-UHFFFAOYSA-NSynonyms
799800-12-7799800127
C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5
InChI=1SC23H19N5O3Sc2921(251216891920(1116)31153019)143223272622(175410241317)28(23)186213718h11113H121415H2(H2529)
MFCD03611952
N(13benzodioxol5ylmethyl)2((4phenyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(13BENZODIOXOL5YLMETHYL)2((4PHENYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(benzo(d)(13)dioxol5ylmethyl)2((4phenyl5(pyridin3yl)4H124triazol3yl)thio)acetamide
ZINC000002222837
ZINC02222837
ZINC2222837
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