Vitas-M small molecule compound
2-(1H-benzotriazol-1-yl)-N-benzyl-N-{1-(cyclohex-3-en-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}acetamide
Catalog ID
STL446786
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1)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 C30H31N5O3 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O3/c1-38-25-18-16-24(17-19-25)31-30(37)29(23-12-6-3-7-13-23)34(20-22-10-4-2-5-11-22)28(36)21-35-27-15-9-8-14-26(27)32-33-35/h2-6,8-11,14-19,23,29H,7,12-13,20-21H2,1H3,(H,31,37)InChIKey
XMYCTUZDADCVKM-UHFFFAOYSA-NSynonyms
2((2(BENZOTRIAZOL1YL)ACETYL)BENZYLAMINO)2CYCLOHEX3EN1YLN(4METHOXYPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)NbenzylN(1(cyclohex3en1yl)2((4methoxyphenyl)amino)2oxoethyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)NBENZYLACETAMIDO)2(CYCLOHEX3ENYL)N(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)C(C2CCC=CC2)N(CC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC30H31N5O3c13825181624(171925)3130(37)29(23126371323)34(2022104251122)28(36)21352715981426(27)323335h2681114192329H712132021H21H3(H3137)
MFCD06244390
ZINC000001418947
ZINC000001418950
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