Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-(4-methoxybenzyl)-N-{2-[(4-methoxyphenyl)amino]-2-oxo-1-(thiophen-2-yl)ethyl}acetamide
Catalog ID
STL438819
SMILES COc1ccc(cc1)CN(C(c1cccs1)C(=O)Nc1ccc(cc1)OC)C(=O)Cn1nnc2c1cccc2
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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 C29H27N5O4S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4S/c1-37-22-13-9-20(10-14-22)18-33(27(35)19-34-25-7-4-3-6-24(25)31-32-34)28(26-8-5-17-39-26)29(36)30-21-11-15-23(38-2)16-12-21/h3-17,28H,18-19H2,1-2H3,(H,30,36)InChIKey
UMYLHAIEMKGAGK-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((4METHOXYPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)2THIOPHEN2YLACETAMIDE
2(1Hbenzotriazol1yl)N(4methoxybenzyl)N(2((4methoxyphenyl)amino)2oxo1(thiophen2yl)ethyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(4METHOXYBENZYL)ACETAMIDO)N(4METHOXYPHENYL)2(THIOPHEN2YL)ACETAMIDE
COC1=CC=C(C=C1)CN(C(C2=CC=CS2)C(=O)NC3=CC=C(C=C3)OC)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC29H27N5O4Sc1372213920(101422)1833(27(35)193425743624(25)313234)28(2685173926)29(36)3021111523(382)161221h31728H1819H212H3(H3036)
MFCD06239630
ZINC000001412451
ZINC000001412452
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