Vitas-M small molecule compound
ethyl 3-({[(1R,6R)-6-benzylcyclohex-3-en-1-yl]carbonyl}amino)-5-methoxy-1H-indole-2-carboxylate
Catalog ID
STK540593
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1)cc(cc2)OC
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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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-3-32-26(30)24-23(21-16-19(31-2)13-14-22(21)27-24)28-25(29)20-12-8-7-11-18(20)15-17-9-5-4-6-10-17/h4-10,13-14,16,18,20,27H,3,11-12,15H2,1-2H3,(H,28,29)/t18-,20-/m1/s1InChIKey
JCSHVURHHZHBHE-UYAOXDASSA-NSynonyms
1212264-02-21212264022
CCOC(=O)c1(nH)c2c(c1NC(=O)(C@@H)1CC=CC(C@@H)1Cc1ccccc1)cc(cc2)OC
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C3CC=CCC3CC4=CC=CC=C4
ethyl3((((1R6R)6benzylcyclohex3en1yl)carbonyl)amino)5methoxy1Hindole2carboxylate
ethyl3(((1R6R)6benzylcyclohex3ene1carbonyl)amino)5methoxy1Hindole2carboxylate
ethyl3((1R6R)6benzylcyclohex3enecarboxamido)5methoxy1Hindole2carboxylate
InChI=1SC26H28N2O4c133226(30)2423(211619(312)131422(21)2724)2825(29)2012871118(20)151795461017h410131416182027H3111215H212H3(H2829)t1820m1s1
MFCD18241841
ZINC000013551587
ZINC13551587
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