Vitas-M small molecule compound
ethyl 2-[({5-nitro-2-[(3-phenylpropyl)amino]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK763265
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2NCCCc2ccccc2)[N+](=O)[O-])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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-2-35-27(32)24-20-12-6-7-13-23(20)36-26(24)29-25(31)21-17-19(30(33)34)14-15-22(21)28-16-8-11-18-9-4-3-5-10-18/h3-5,9-10,14-15,17,28H,2,6-8,11-13,16H2,1H3,(H,29,31)InChIKey
LIBAGGTUCCCXIR-UHFFFAOYSA-NSynonyms
332869-71-3332869713
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))NCCCC4=CC=CC=C4
CCOC(=O)c1c(NC(=O)c2cc(ccc2NCCCc2ccccc2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((5nitro2((3phenylpropyl)amino)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5nitro2(3phenylpropylamino)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(5nitro2((3phenylpropyl)amino)benzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC27H29N3O5Sc123527(32)242012671323(20)3626(24)2925(31)211719(30(33)34)141522(21)28168111894351018h3591014151728H268111316H21H3(H2931)
MFCD02050651
ZINC000006089557
ZINC06089557
ZINC6089557
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