Vitas-M small molecule compound
N-(4-bromophenyl)-6-tert-butyl-2-{[N-(pyridin-3-ylmethyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385251
SMILES O=C(Nc1sc2c(c1C(=O)Nc1ccc(cc1)Br)CCC(C2)C(C)(C)C)CNCc1cccnc1
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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 C27H31BrN4O2S MW 555.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31BrN4O2S/c1-27(2,3)18-6-11-21-22(13-18)35-26(24(21)25(34)31-20-9-7-19(28)8-10-20)32-23(33)16-30-15-17-5-4-12-29-14-17/h4-5,7-10,12,14,18,30H,6,11,13,15-16H2,1-3H3,(H,31,34)(H,32,33)InChIKey
QDTNRGXLAFVRPZ-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)CNCC4=CN=CC=C4
InChI=1SC27H31BrN4O2Sc127(23)186112122(1318)3526(24(21)25(34)31209719(28)81020)3223(33)163015175412291417h4571012141830H611131516H213H3(H3134)(H3233)
MFCD03274088
N(4bromophenyl)6tertbutyl2((2(pyridin3ylmethylamino)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
N(4bromophenyl)6tertbutyl2((N(pyridin3ylmethyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000002072936
ZINC000053353447
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