Vitas-M small molecule compound

methyl 3-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-5-methyl-1H-indole-2-carboxylate

Catalog ID
STK553696
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C1(C)CC1(Br)Br)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 C16H16Br2N2O3 MW 444.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16Br2N2O3/c1-8-4-5-10-9(6-8)11(12(19-10)13(21)23-3)20-14(22)15(2)7-16(15,17)18/h4-6,19H,7H2,1-3H3,(H,20,22)
InChIKey
CMJCDTNSPMHKPF-UHFFFAOYSA-N
Synonyms
840462-86-4
840462864
CC1=CC2=C(C=C1)NC(=C2NC(=O)C3(CC3(Br)Br)C)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)C1(C)CC1(Br)Br)cc(cc2)C
InChI=1SC16H16Br2N2O3c1845109(68)11(12(1910)13(21)233)2014(22)15(2)716(1517)18h4619H7H213H3(H2022)
METHYL3((((1R)22DIBROMO1METHYLCYCLOPROPYL)CARBONYL)AMINO)5METHYL1HINDOLE2CARBOXYLATE
methyl3(((22dibromo1methylcyclopropyl)carbonyl)amino)5methyl1Hindole2carboxylate
METHYL3((22DIBROMO1METHYLCYCLOPROPANECARBONYL)AMINO)5METHYL1HINDOLE2CARBOXYLATE
methyl3(22dibromo1methylcyclopropanecarboxamido)5methyl1Hindole2carboxylate
MFCD04004609
ZINC000002258621
ZINC000002258622

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Available files

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