Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK991822
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccccc1)c1cccnc1

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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(25-17-8-9-19-20(13-17)31-12-11-30-19)15-32-23-27-26-22(16-5-4-10-24-14-16)28(23)18-6-2-1-3-7-18/h1-10,13-14H,11-12,15H2,(H,25,29)
InChIKey
NPSOUWWDUCSPDQ-UHFFFAOYSA-N
Synonyms
825599-32-4
825599324
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5
InChI=1SC23H19N5O3Sc2921(2517891920(1317)3112113019)153223272622(165410241416)28(23)186213718h1101314H111215H2(H2529)
MFCD03611929
N(23dihydro14benzodioxin6yl)2((4phenyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((4PHENYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23dihydrobenzo(b)(14)dioxin6yl)2((4phenyl5(pyridin3yl)4H124triazol3yl)thio)acetamide
N(2H3HBENZO(34E)14DIOXIN6YL)2(4PHENYL5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001077022
ZINC01077022
ZINC1077022

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Available files

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