Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy}-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK287279
SMILES COc1cc(ccc1OCC(=O)NC12CC3CC(C2)CC(C1)C3)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C29H30N4O3 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3/c1-35-26-12-18(11-22(16-30)28-31-23-4-2-3-5-24(23)32-28)6-7-25(26)36-17-27(34)33-29-13-19-8-20(14-29)10-21(9-19)15-29/h2-7,11-12,19-21H,8-10,13-15,17H2,1H3,(H,31,32)(H,33,34)/b22-11+InChIKey
TVQNGUISTNXKAM-SSDVNMTOSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(tricyclo(3311~37~)dec1yl)acetamide
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC45CC6CC(C4)CC(C6)C5
COc1cc(ccc1OCC(=O)NC12CC3CC(C2)CC(C1)C3)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC29H30N4O3c135261218(1122(1630)283123423524(23)3228)6725(26)361727(34)33291319820(1429)1021(919)1529h2711121921H810131517H21H3(H3132)(H3334)b2211+
MFCD06760580
N(1adamantyl)2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)acetamide
ZINC000009187360
ZINC09187360
ZINC9187360
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