Vitas-M small molecule compound
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Catalog ID
STL168466
SMILES O=C(CSc1nnc(n1N)c1ccc(cc1)Br)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 C18H16BrN5O3S MW 462.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN5O3S/c19-13-4-2-12(3-5-13)17-22-23-18(24(17)20)28-9-16(25)21-8-11-1-6-14-15(7-11)27-10-26-14/h1-7H,8-10,20H2,(H,21,25)InChIKey
MSWZWCUIEHONNL-UHFFFAOYSA-NSynonyms
724736-60-12((4AMINO5(4BROMOPHENYL)124TRIAZOL3YL)SULFANYL)N(13BENZODIOXOL5YLMETHYL)ACETAMIDE
2((4amino5(4bromophenyl)4H124triazol3yl)sulfanyl)N(13benzodioxol5ylmethyl)acetamide
724736601
C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Br
InChI=1SC18H16BrN5O3Sc19134212(3513)17222318(24(17)20)28916(25)21811161415(711)27102614h17H81020H2(H2125)
MFCD03610655
ZINC000002780407
ZINC02780407
ZINC2780407
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