Vitas-M small molecule compound
ethyl 5-bromo-3-[(N,N-dimethyl-beta-alanyl)amino]-1H-indole-2-carboxylate
Catalog ID
STK531112
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN(C)C)cc(cc2)Br
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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 C16H20BrN3O3 MW 382.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20BrN3O3/c1-4-23-16(22)15-14(19-13(21)7-8-20(2)3)11-9-10(17)5-6-12(11)18-15/h5-6,9,18H,4,7-8H2,1-3H3,(H,19,21)InChIKey
XVHZIPDAVBZSGY-UHFFFAOYSA-NSynonyms
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN(C)C)cc(cc2)Br
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN(C)C
ethyl5bromo3((NNdimethylbetaalanyl)amino)1Hindole2carboxylate
ethyl5bromo3(3(dimethylamino)propanamido)1Hindole2carboxylate
ETHYL5BROMO3(3(DIMETHYLAMINO)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC16H20BrN3O3c142316(22)1514(1913(21)7820(2)3)11910(17)5612(11)1815h56918H478H213H3(H1921)
MFCD02242464
ZINC000002299854
ZINC2299854
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