Vitas-M small molecule compound
N~5~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~3~,N~3~-diethyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
Catalog ID
STL405197
SMILES CCN(C(=O)c1nn(c(c1)C(=O)Nc1sc2c(c1C#N)CCC(C2)C)C)CC
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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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c1-5-25(6-2)20(27)15-10-16(24(4)23-15)18(26)22-19-14(11-21)13-8-7-12(3)9-17(13)28-19/h10,12H,5-9H2,1-4H3,(H,22,26)InChIKey
YNUOPWHCOSLQRV-UHFFFAOYSA-NSynonyms
1006343-26-51006343265
5N(3cyano6methyl4567tetrahydro1benzothiophen2yl)3N3Ndiethyl1methylpyrazole35dicarboxamide
CCN(CC)C(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N)C
InChI=1SC20H25N5O2Sc1525(62)20(27)151016(24(4)2315)18(26)221914(1121)138712(3)917(13)2819h1012H59H214H3(H2226)
MFCD08557912
N~5~(3cyano6methyl4567tetrahydro1benzothiophen2yl)N~3~N~3~diethyl1methyl1Hpyrazole35dicarboxamide
ZINC000020606061
ZINC000020606063
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