Vitas-M small molecule compound
6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK449703
SMILES O=C(c1c(/N=C/c2c(C)nn(c2C)C)sc2c1CCC(C2)C(C)(C)C)NC1CCCCC1
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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 C26H38N4OS MW 454.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4OS/c1-16-21(17(2)30(6)29-16)15-27-25-23(24(31)28-19-10-8-7-9-11-19)20-13-12-18(26(3,4)5)14-22(20)32-25/h15,18-19H,7-14H2,1-6H3,(H,28,31)/b27-15+InChIKey
HDPOBDCJMXPXEC-JFLMPSFJSA-NSynonyms
6tertbutylNcyclohexyl2(((E)(135trimethyl1Hpyrazol4yl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylNcyclohexyl2((E)(135trimethylpyrazol4yl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CC1=C(C(=NN1C)C)C=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4CCCCC4
InChI=1SC26H38N4OSc11621(17(2)30(6)2916)15272523(24(31)2819108791119)20131218(26(34)5)1422(20)3225h151819H714H216H3(H2831)b2715+
MFCD03467401
O=C(c1c(N=Cc2c(C)nn(c2C)C)sc2c1CCC(C2)C(C)(C)C)NC1CCCCC1
ZINC000002771989
ZINC000004510853
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