Vitas-M small molecule compound
2-(butan-2-yl)-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK653497
SMILES CCC(N1C(=O)c2c(C1=O)cc(cc2)C(=O)/N=c/1\[nH]nc(s1)C)C
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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 C16H16N4O3S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S/c1-4-8(2)20-14(22)11-6-5-10(7-12(11)15(20)23)13(21)17-16-19-18-9(3)24-16/h5-8H,4H2,1-3H3,(H,17,19,21)InChIKey
CDYNUAQEHVGHOK-UHFFFAOYSA-NSynonyms
1144472-71-81144472718
2(butan2yl)N((2E)5methyl134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
2butan2ylN(5methyl134thiadiazol2yl)13dioxoisoindole5carboxamide
CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)C
CCC(N1C(=O)c2c(C1=O)cc(cc2)C(=O)N=c1(nH)nc(s1)C)C
InChI=1SC16H16N4O3Sc148(2)2014(22)116510(712(11)15(20)23)13(21)171619189(3)2416h58H4H213H3(H171921)
MFCD18166719
ZINC000031815056
ZINC000031815059
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