Vitas-M small molecule compound

2-(benzylsulfanyl)-5-bromo-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]pyrimidine-4-carboxamide

Catalog ID
STK608226
SMILES COc1ccc(cc1)c1nonc1NC(=O)c1nc(ncc1Br)SCc1ccccc1

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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 C21H16BrN5O3S MW 498.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN5O3S/c1-29-15-9-7-14(8-10-15)17-19(27-30-26-17)25-20(28)18-16(22)11-23-21(24-18)31-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,25,27,28)
InChIKey
YJNPEKOIWWJJIF-UHFFFAOYSA-N
Synonyms
898491-26-4
2(benzylsulfanyl)5bromoN(4(4methoxyphenyl)125oxadiazol3yl)pyrimidine4carboxamide
2(benzylthio)5bromoN(4(4methoxyphenyl)125oxadiazol3yl)pyrimidine4carboxamide
2benzylsulfanyl5bromoN(4(4methoxyphenyl)125oxadiazol3yl)pyrimidine4carboxamide
898491264
COC1=CC=C(C=C1)C2=NON=C2NC(=O)C3=NC(=NC=C3Br)SCC4=CC=CC=C4
InChI=1SC21H16BrN5O3Sc129159714(81015)1719(27302617)2520(28)1816(22)112321(2418)3112135324613h211H12H21H3(H252728)
MFCD08286797
ZINC000009409524
ZINC09409524
ZINC9409524

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Available files

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