Vitas-M small molecule compound
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide
Catalog ID
STK248316
SMILES N#Cc1c(NC(=S)NC(=O)c2cccc(c2)OCC(C)C)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 C21H23N3O2S2 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S2/c1-13(2)12-26-15-7-5-6-14(10-15)19(25)23-21(27)24-20-17(11-22)16-8-3-4-9-18(16)28-20/h5-7,10,13H,3-4,8-9,12H2,1-2H3,(H2,23,24,25,27)InChIKey
NISDOWOZPGWDBT-UHFFFAOYSA-NSynonyms
665013-15-0665013150
CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N
InChI=1SC21H23N3O2S2c113(2)12261575614(1015)19(25)2321(27)242017(1122)16834918(16)2820h571013H348912H212H3(H223242527)
MFCD03680461
N((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)3(2methylpropoxy)benzamide
N((3cyano4567tetrahydrobenzo(b)thiophen2yl)carbamothioyl)3isobutoxybenzamide
ZINC000004657377
ZINC04657377
ZINC4657377
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