Vitas-M small molecule compound
6-tert-butyl-2-({[3-nitro-4-(piperidin-1-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK347210
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)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 C25H32N4O4S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S/c1-25(2,3)16-8-9-17-20(14-16)34-24(21(17)22(26)30)27-23(31)15-7-10-18(19(13-15)29(32)33)28-11-5-4-6-12-28/h7,10,13,16H,4-6,8-9,11-12,14H2,1-3H3,(H2,26,30)(H,27,31)InChIKey
KVFGDIJNQLHQKX-UHFFFAOYSA-NSynonyms
6tertbutyl2(((3nitro4(piperidin1yl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((3nitro4piperidin1ylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)(N+)(=O)(O)
InChI=1SC25H32N4O4Sc125(23)16891720(1416)3424(21(17)22(26)30)2723(31)1571018(19(1315)29(32)33)28115461228h7101316H4689111214H213H3(H22630)(H2731)
MFCD05810757
O=C(c1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
ZINC000012860484
ZINC000012860492
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