Vitas-M small molecule compound
4-methyl-6-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STL365620
SMILES O=C1COc2c(N1C)cc(cc2)c1nnc(n1C)S
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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 C12H12N4O2S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O2S/c1-15-8-5-7(11-13-14-12(19)16(11)2)3-4-9(8)18-6-10(15)17/h3-5H,6H2,1-2H3,(H,14,19)InChIKey
RSXPQBJOPHQOQM-UHFFFAOYSA-NSynonyms
4methyl6(4methyl5sulfanyl4H124triazol3yl)2H14benzoxazin3(4H)one
4methyl6(4methyl5sulfanylidene1H124triazol3yl)14benzoxazin3one
CN1C(=O)COC2=C1C=C(C=C2)C3=NNC(=S)N3C
InChI=1SC12H12N4O2Sc115857(11131412(19)16(11)2)349(8)18610(15)17h35H6H212H3(H1419)
MFCD28951368
ZINC000015019484
ZINC15019484
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