Vitas-M small molecule compound
ethyl 2-({[3-(diethylcarbamoyl)-1-methyl-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK315243
SMILES CCOC(=O)c1c(NC(=O)c2cc(nn2C)C(=O)N(CC)CC)sc2c1CCCC2
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-5-25(6-2)20(27)14-12-15(24(4)23-14)18(26)22-19-17(21(28)29-7-3)13-10-8-9-11-16(13)30-19/h12H,5-11H2,1-4H3,(H,22,26)InChIKey
SHCIKUFUXXJNIZ-UHFFFAOYSA-NSynonyms
1006332-35-91006332359
CCN(CC)C(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C
ethyl2(((3(diethylcarbamoyl)1methyl1Hpyrazol5yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5(diethylcarbamoyl)2methylpyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H28N4O4Sc1525(62)20(27)141215(24(4)2314)18(26)221917(21(28)2973)1310891116(13)3019h12H511H214H3(H2226)
MFCD08556897
ZINC000013961522
ZINC13961522
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