Vitas-M small molecule compound

methyl 6-methoxy-3-{[(4,6,6-trimethyl-2-azabicyclo[2.2.1]hept-2-yl)acetyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK553571
SMILES COc1ccc2c(c1)[nH]c(c2NC(=O)CN1CC2(CC1C(C2)(C)C)C)C(=O)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 C22H29N3O4 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O4/c1-21(2)11-22(3)9-16(21)25(12-22)10-17(26)24-18-14-7-6-13(28-4)8-15(14)23-19(18)20(27)29-5/h6-8,16,23H,9-12H2,1-5H3,(H,24,26)
InChIKey
PNGYQVPOHFUMSP-UHFFFAOYSA-N
Synonyms
840462-04-6
840462046
CC1(CC2(CC1N(C2)CC(=O)NC3=C(NC4=C3C=CC(=C4)OC)C(=O)OC)C)C
COc1ccc2c(c1)(nH)c(c2NC(=O)CN1CC2(CC1C(C2)(C)C)C)C(=O)OC
InChI=1SC22H29N3O4c121(2)1122(3)916(21)25(1222)1017(26)2418147613(284)815(14)2319(18)20(27)295h681623H912H215H3(H2426)
METHYL6METHOXY3((((1S4S)466TRIMETHYL2AZABICYCLO(221)HEPT2YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl6methoxy3(((466trimethyl2azabicyclo(221)hept2yl)acetyl)amino)1Hindole2carboxylate
METHYL6METHOXY3((2(466TRIMETHYL2AZABICYCLO(221)HEPTAN2YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl6methoxy3(2(466trimethyl2azabicyclo(221)heptan2yl)acetamido)1Hindole2carboxylate
MFCD04004447
ZINC000101024026

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.