Vitas-M small molecule compound
6-tert-butyl-2-{[(2-ethylpiperidin-1-yl)acetyl]amino}-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK383597
SMILES CCC1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(c1)[N+](=O)[O-])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 C28H38N4O4S MW 526.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4O4S/c1-5-20-10-6-7-14-31(20)17-24(33)30-27-25(22-13-12-18(28(2,3)4)15-23(22)37-27)26(34)29-19-9-8-11-21(16-19)32(35)36/h8-9,11,16,18,20H,5-7,10,12-15,17H2,1-4H3,(H,29,34)(H,30,33)InChIKey
KMIRVBGIUYWYKN-UHFFFAOYSA-NSynonyms
6tertbutyl2(((2ethylpiperidin1yl)acetyl)amino)N(3nitrophenyl)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((2(2ethylpiperidin1yl)acetyl)amino)N(3nitrophenyl)4567tetrahydro1benzothiophene3carboxamide
CCC1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(c1)(N+)(=O)(O))CCC(C2)C(C)(C)C
CCC1CCCCN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC28H38N4O4Sc152010671431(20)1724(33)302725(22131218(28(23)4)1523(22)3727)26(34)2919981121(1619)32(35)36h8911161820H5710121517H214H3(H2934)(H3033)
MFCD03648757
ZINC000015946690
ZINC000035415642
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