Vitas-M small molecule compound
N-{2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-[4-(propan-2-yl)phenyl]ethyl}-2-(1H-benzotriazol-1-yl)-N-benzylacetamide
Catalog ID
STL446746
SMILES CC(c1ccc(cc1)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2)C
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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 C33H31N5O4 MW 561.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O4/c1-22(2)24-12-14-25(15-13-24)32(33(40)34-26-16-17-29-30(18-26)42-21-41-29)37(19-23-8-4-3-5-9-23)31(39)20-38-28-11-7-6-10-27(28)35-36-38/h3-18,22,32H,19-21H2,1-2H3,(H,34,40)InChIKey
YQYQTYRQEBSOJT-UHFFFAOYSA-NSynonyms
2(2(1HBENZO(D)(123)TRIAZOL1YL)NBENZYLACETAMIDO)N(BENZO(D)(13)DIOXOL5YL)2(4ISOPROPYLPHENYL)ACETAMIDE
CC(C)C1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CC=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5
InChI=1SC33H31N5O4c122(2)24121425(151324)32(33(40)342616172930(1826)42214129)37(19238435923)31(39)20382811761027(28)353638h3182232H1921H212H3(H3440)
MFCD06244361
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)BENZYLAMINO)2(4PROPAN2YLPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1(4(propan2yl)phenyl)ethyl)2(1Hbenzotriazol1yl)Nbenzylacetamide
ZINC000008712989
ZINC000008712990
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