Vitas-M small molecule compound

2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide

Catalog ID
STK586539
SMILES COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Br

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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 C20H18BrN7O2S MW 500.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN7O2S/c1-30-15-8-2-12(3-9-15)16-10-17(25-24-16)19-26-27-20(28(19)22)31-11-18(29)23-14-6-4-13(21)5-7-14/h2-10H,11,22H2,1H3,(H,23,29)(H,24,25)
InChIKey
QNRRRFBAWNFFPO-UHFFFAOYSA-N
Synonyms
879454-00-9
2((4AMINO5(3(4METHOXYPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)ACETAMIDE
2((4amino5(3(4methoxyphenyl)1Hpyrazol5yl)4H124triazol3yl)thio)N(4bromophenyl)acetamide
2((4amino5(5(4methoxyphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(4bromophenyl)acetamide
2(4AMINO5(3(4METHOXYPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(4BROMOPHENYL)ACETAMIDE
879454009
COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)Br
COc1ccc(cc1)c1(nH)nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Br
COc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Br
InChI=1SC20H18BrN7O2Sc130158212(3915)161017(252416)19262720(28(19)22)311118(29)23146413(21)5714h210H1122H21H3(H2329)(H2425)
MFCD07202175
ZINC000009487568
ZINC09487568
ZINC9487568

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Available files

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