Vitas-M small molecule compound
4-[(Z)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Catalog ID
STK287202
SMILES COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)/C=C(\c1[nH]c2c(n1)cc(c(c2)C)C)/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 C30H31N3O3 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3/c1-17-6-24-25(7-18(17)2)33-28(32-24)23(16-31)11-19-4-5-26(27(12-19)35-3)36-29(34)30-13-20-8-21(14-30)10-22(9-20)15-30/h4-7,11-12,20-22H,8-10,13-15H2,1-3H3,(H,32,33)/b23-11-InChIKey
RWDRHAZFWPGPLL-KSEXSDGBSA-NSynonyms
(4((Z)2CYANO2(56DIMETHYL1HBENZIMIDAZOL2YL)ETHENYL)2METHOXYPHENYL)ADAMANTANE1CARBOXYLATE
4((Z)2cyano2(56dimethyl1Hbenzimidazol2yl)ethenyl)2methoxyphenyltricyclo(3311~37~)decane1carboxylate
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)OC)C#N
COc1cc(ccc1OC(=O)C12CC3CC(C2)CC(C1)C3)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC30H31N3O3c11762425(718(17)2)3328(3224)23(1631)11194526(27(1219)353)3629(34)301320821(1430)1022(920)1530h4711122022H8101315H213H3(H3233)b2311
MFCD07359469
ZINC000013943478
ZINC13943478
Check stock
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