Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-{2-[(4-methoxyphenyl)amino]-2-oxo-1-(thiophen-2-yl)ethyl}-N-(2-methylbenzyl)acetamide
Catalog ID
STL438817
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1C)c1cccs1
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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 C29H27N5O3S MW 525.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3S/c1-20-8-3-4-9-21(20)18-33(27(35)19-34-25-11-6-5-10-24(25)31-32-34)28(26-12-7-17-38-26)29(36)30-22-13-15-23(37-2)16-14-22/h3-17,28H,18-19H2,1-2H3,(H,30,36)InChIKey
DIXMYBSDFPUVPA-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((2METHYLPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)2THIOPHEN2YLACETAMIDE
2(1Hbenzotriazol1yl)N(2((4methoxyphenyl)amino)2oxo1(thiophen2yl)ethyl)N(2methylbenzyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(2METHYLBENZYL)ACETAMIDO)N(4METHOXYPHENYL)2(THIOPHEN2YL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2=CC=CS2)C(=O)NC3=CC=C(C=C3)OC)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC29H27N5O3Sc120834921(20)1833(27(35)19342511651024(25)313234)28(26127173826)29(36)3022131523(372)161422h31728H1819H212H3(H3036)
MFCD06239628
ZINC000001412447
ZINC000001412448
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