Vitas-M small molecule compound
2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STK029473
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Br)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 C23H18BrN5O3S MW 524.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN5O3S/c24-16-1-4-18(5-2-16)29-22(15-7-9-25-10-8-15)27-28-23(29)33-14-21(30)26-17-3-6-19-20(13-17)32-12-11-31-19/h1-10,13H,11-12,14H2,(H,26,30)InChIKey
NKIDURWGFSKPTI-UHFFFAOYSA-NSynonyms
477329-83-22((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)N(23DIHYDROBENZO(B)(14)DIOXIN6YL)ACETAMIDE
2((4(4BROMOPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
477329832
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5
InChI=1SC23H18BrN5O3Sc24161418(5216)2922(15792510815)272823(29)331421(30)2617361920(1317)3212113119h11013H111214H2(H2630)
MFCD03224618
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(4BROMOPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
STK029473
ZINC000001088896
ZINC01088896
ZINC1088896
Check stock
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Check stock on Vitas-MAvailable files
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