Vitas-M small molecule compound
(2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Catalog ID
STK398576
SMILES COc1ccc(cc1CSc1nc2c([nH]1)cccc2)/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 C28H30N2O2S MW 458.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S/c1-32-25-8-6-18(13-22(25)17-33-27-29-23-4-2-3-5-24(23)30-27)7-9-26(31)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-9,13,19-21H,10-12,14-17H2,1H3,(H,29,30)/b9-7+InChIKey
MVTNDQYHVUKHLO-VQHVLOKHSA-NSynonyms
371213-33-1(2E)3(3((1Hbenzimidazol2ylsulfanyl)methyl)4methoxyphenyl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1(1ADAMANTYL)3(3(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)PROP2EN1ONE
(E)3(3(((1Hbenzo(d)imidazol2yl)thio)methyl)4methoxyphenyl)1((1s3s)adamantan1yl)prop2en1one
1(1ADAMANTYL)3(3((1HBENZIMIDAZOL2YLSULFANYL)METHYL)4METHOXYPHENYL)2PROPEN1ONE
371213331
COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)CSC5=NC6=CC=CC=C6N5
COc1ccc(cc1CSc1nc2c((nH)1)cccc2)C=CC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC28H30N2O2Sc132258618(1322(25)1733272923423524(23)3027)7926(31)2814191020(1528)1221(1119)1628h29131921H10121417H21H3(H2930)b97+
MFCD03010050
ZINC000008399112
ZINC08399112
ZINC8399112
Check stock
See real-time availability and sample size for STK398576 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.