Vitas-M small molecule compound

methyl 1-[(4-tert-butylphenyl)carbonyl]-1H-indole-3-carboxylate

Catalog ID
STK144838
SMILES COC(=O)c1cn(c2c1cccc2)C(=O)c1ccc(cc1)C(C)(C)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 C21H21NO3 MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3/c1-21(2,3)15-11-9-14(10-12-15)19(23)22-13-17(20(24)25-4)16-7-5-6-8-18(16)22/h5-13H,1-4H3
InChIKey
KAQVGIJQDFUAFJ-UHFFFAOYSA-N
Synonyms
328282-79-7
328282797
CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC
InChI=1SC21H21NO3c121(23)1511914(101215)19(23)221317(20(24)254)16756818(16)22h513H14H3
METHYL1((4(TERTBUTYL)PHENYL)CARBONYL)INDOLE3CARBOXYLATE
METHYL1((4TERTBUTYLPHENYL)CARBONYL)1HINDOLE3CARBOXYLATE
methyl1(4(tertbutyl)benzoyl)1Hindole3carboxylate
METHYL1(4TERTBUTYLBENZOYL)1HINDOLE3CARBOXYLATE
METHYL1(4TERTBUTYLBENZOYL)INDOLE3CARBOXYLATE
MFCD01049169
ZINC000000049316
ZINC00049316
ZINC49316

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Available files

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