Vitas-M small molecule compound

1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea

Catalog ID
STK073210
SMILES COc1ccc(cc1)NC(=O)Nc1nnc(s1)c1cccc(c1)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 C16H13BrN4O2S MW 405.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O2S/c1-23-13-7-5-12(6-8-13)18-15(22)19-16-21-20-14(24-16)10-3-2-4-11(17)9-10/h2-9H,1H3,(H2,18,19,21,22)
InChIKey
RCFUEQKTEVKHPT-UHFFFAOYSA-N
Synonyms
428480-22-2
1((2E)5(3BROMOPHENYL)134THIADIAZOL2(3H)YLIDENE)3(4METHOXYPHENYL)UREA
1(5(3BROMOPHENYL)134THIADIAZOL2YL)3(4METHOXYPHENYL)UREA
COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC(=CC=C3)Br
COc1ccc(cc1)NC(=O)Nc1nnc(s1)c1cccc(c1)Br
InChI=1SC16H13BrN4O2Sc123137512(6813)1815(22)1916212014(2416)1032411(17)910h29H1H3(H218192122)
MFCD02639465
STK073210
ZINC000002232777
ZINC02232777
ZINC03857253
ZINC03857254
ZINC2232777

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Available files

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