Vitas-M small molecule compound

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

Catalog ID
STK595126
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

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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 C22H16ClN5O3S MW 465.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN5O3S/c23-14-4-7-16(8-5-14)28-21(17-3-1-2-10-24-17)26-27-22(28)32-12-20(29)25-15-6-9-18-19(11-15)31-13-30-18/h1-11H,12-13H2,(H,25,29)
InChIKey
VWMBOFOHCDXBDH-UHFFFAOYSA-N
Synonyms
899395-05-2
899395052
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=N5
InChI=1SC22H16ClN5O3Sc23144716(8514)2821(17312102417)262722(28)321220(29)2515691819(1115)31133018h111H1213H2(H2529)
MFCD06606404
N(13benzodioxol5yl)2((4(4chlorophenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetamide
N(13BENZODIOXOL5YL)2((4(4CHLOROPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2H13BENZODIOXOL5YL)2((4(4CHLOROPHENYL)5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(4(4CHLOROPHENYL)5(2PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((4(4chlorophenyl)5(pyridin2yl)4H124triazol3yl)thio)acetamide
NBENZO(13)DIOXOL5YL2(4(4CHLOROPHENYL)5PYRIDIN2YL4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000002328291
ZINC02328291
ZINC2328291

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Available files

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