Vitas-M small molecule compound
methyl 3-({[(1R,6R)-6-benzylcyclohex-3-en-1-yl]carbonyl}amino)-5-methyl-1H-indole-2-carboxylate
Catalog ID
STK553997
SMILES COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1)cc(cc2)C
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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 C25H26N2O3 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3/c1-16-12-13-21-20(14-16)22(23(26-21)25(29)30-2)27-24(28)19-11-7-6-10-18(19)15-17-8-4-3-5-9-17/h3-9,12-14,18-19,26H,10-11,15H2,1-2H3,(H,27,28)/t18-,19-/m1/s1InChIKey
GWDLTEAUVXFACD-RTBURBONSA-NSynonyms
1212365-65-51212365655
CC1=CC2=C(C=C1)NC(=C2NC(=O)C3CC=CCC3CC4=CC=CC=C4)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)(C@@H)1CC=CC(C@@H)1Cc1ccccc1)cc(cc2)C
InChI=1SC25H26N2O3c11612132120(1416)22(23(2621)25(29)302)2724(28)1911761018(19)15178435917h391214181926H101115H212H3(H2728)t1819m1s1
methyl3((((1R6R)6benzylcyclohex3en1yl)carbonyl)amino)5methyl1Hindole2carboxylate
methyl3(((1R6R)6benzylcyclohex3ene1carbonyl)amino)5methyl1Hindole2carboxylate
methyl3((1R6R)6benzylcyclohex3enecarboxamido)5methyl1Hindole2carboxylate
MFCD18242763
ZINC000005092417
ZINC05092417
ZINC5092417
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.