Vitas-M small molecule compound
ethyl 2-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK044352
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)C(C)(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 C23H28N2O3S2 MW 444.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O3S2/c1-5-28-21(27)18-16-8-6-7-9-17(16)30-20(18)25-22(29)24-19(26)14-10-12-15(13-11-14)23(2,3)4/h10-13H,5-9H2,1-4H3,(H2,24,25,26,29)InChIKey
UPTFSSJRMKXPAB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)sc2c1CCCC2
ethyl2((((4tertbutylphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4tertbutylbenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H28N2O3S2c152821(27)1816867917(16)3020(18)2522(29)2419(26)14101215(131114)23(23)4h1013H59H214H3(H224252629)
MFCD02914755
STK044352
ZINC000009425676
ZINC09425676
ZINC9425676
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