Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-{1-(cyclohex-3-en-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-(2-methylbenzyl)acetamide
Catalog ID
STL446792
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1C)C1CCC=CC1
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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 C31H33N5O3 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O3/c1-22-10-6-7-13-24(22)20-35(29(37)21-36-28-15-9-8-14-27(28)33-34-36)30(23-11-4-3-5-12-23)31(38)32-25-16-18-26(39-2)19-17-25/h3-4,6-10,13-19,23,30H,5,11-12,20-21H2,1-2H3,(H,32,38)InChIKey
YGGHAZQAUAGITO-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)((2METHYLPHENYL)METHYL)AMINO)2CYCLOHEX3EN1YLN(4METHOXYPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(cyclohex3en1yl)2((4methoxyphenyl)amino)2oxoethyl)N(2methylbenzyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(2METHYLBENZYL)ACETAMIDO)2(CYCLOHEX3ENYL)N(4METHOXYPHENYL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2CCC=CC2)C(=O)NC3=CC=C(C=C3)OC)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC31H33N5O3c12210671324(22)2035(29(37)21362815981427(28)333436)30(23114351223)31(38)3225161826(392)191725h3461013192330H511122021H212H3(H3238)
MFCD06244398
ZINC000001418959
ZINC000001418962
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