Vitas-M small molecule compound
6-tert-butyl-2-({[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL396292
SMILES S=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)NC(=O)/C=C/c1cnn(c1)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 C21H27N5O2S2 MW 445.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2S2/c1-21(2,3)13-6-7-14-15(9-13)30-19(17(14)18(22)28)25-20(29)24-16(27)8-5-12-10-23-26(4)11-12/h5,8,10-11,13H,6-7,9H2,1-4H3,(H2,22,28)(H2,24,25,27,29)/b8-5+InChIKey
ZLQFSWJVXRVEBA-VMPITWQZSA-NSynonyms
1005572-02-01005572020
6tertbutyl2((((2E)3(1methyl1Hpyrazol4yl)prop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2(((E)3(1methylpyrazol4yl)prop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CN(N=C3)C
InChI=1SC21H27N5O2S2c121(23)13671415(913)3019(17(14)18(22)28)2520(29)2416(27)8512102326(4)1112h58101113H679H214H3(H22228)(H224252729)b85+
MFCD06196661
S=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)NC(=O)C=Cc1cnn(c1)C
ZINC000019643981
ZINC000019643983
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