Vitas-M small molecule compound
(2Z)-2-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Catalog ID
STL181741
SMILES NC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/C=C/c2ccco2)/s1
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-21-16(18(22)25)17(13-8-2-3-9-14(13)28-21)24-19(26)15(29-20(24)23-21)10-4-6-12-7-5-11-27-12/h2-11,16-17H,1H3,(H2,22,25)/b6-4+,15-10-InChIKey
MRURHSMBDHHEDQ-IJPYFETJSA-NSynonyms
1263038-58-9(2Z)2((2E)3(furan2yl)prop2en1ylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxamide
1263038589
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC=CC5=CC=CO5)SC4=N2)C(=O)N
InChI=1SC21H17N3O4Sc12116(18(22)25)17(13823914(13)2821)2419(26)15(2920(24)2321)10461275112712h2111617H1H3(H22225)b64+1510
MFCD20760115
NC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=CC=Cc2ccco2)s1
ZINC000107049248
ZINC000107912827
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