Vitas-M small molecule compound
(2E)-3-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Catalog ID
STK996426
SMILES COc1ccc(cc1Cn1nnc2c1cccc2)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3
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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 C27H29N3O2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2/c1-32-25-8-6-18(13-22(25)17-30-24-5-3-2-4-23(24)28-29-30)7-9-26(31)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-7+InChIKey
YWJOOPKBMUFJHI-VQHVLOKHSA-NSynonyms
370869-72-0(2E)3(3(1Hbenzotriazol1ylmethyl)4methoxyphenyl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1(1ADAMANTYL)3(3(BENZOTRIAZOL1YLMETHYL)4METHOXYPHENYL)PROP2EN1ONE
(E)3(3((1Hbenzo(d)(123)triazol1yl)methyl)4methoxyphenyl)1((1s3s)adamantan1yl)prop2en1one
370869720
COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)CN5C6=CC=CC=C6N=N5
COc1ccc(cc1Cn1nnc2c1cccc2)C=CC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC27H29N3O2c132258618(1322(25)173024532423(24)282930)7926(31)2714191020(1527)1221(1119)1627h29131921H10121417H21H3b97+
MFCD03010571
ZINC000004871547
ZINC04871547
ZINC4871547
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