Vitas-M small molecule compound
3-(2-{[(2-carboxy-6-nitrophenyl)carbonyl]amino}ethyl)-5-methoxy-1H-indole-2-carboxylic acid
Catalog ID
STK365401
SMILES COc1ccc2c(c1)c(CCNC(=O)c1c(cccc1[N+](=O)[O-])C(=O)O)c([nH]2)C(=O)O
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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 C20H17N3O8 MW 427.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O8/c1-31-10-5-6-14-13(9-10)11(17(22-14)20(27)28)7-8-21-18(24)16-12(19(25)26)3-2-4-15(16)23(29)30/h2-6,9,22H,7-8H2,1H3,(H,21,24)(H,25,26)(H,27,28)InChIKey
BOVMIOSFWVCCCD-UHFFFAOYSA-NSynonyms
289721-96-6289721966
3(2(((2carboxy6nitrophenyl)carbonyl)amino)ethyl)5methoxy1Hindole2carboxylicacid
3(2((2CARBOXY6NITROBENZOYL)AMINO)ETHYL)5METHOXY1HINDOLE2CARBOXYLICACID
3(2(2carboxy6nitrobenzamido)ethyl)5methoxy1Hindole2carboxylicacid
COC1=CC2=C(C=C1)NC(=C2CCNC(=O)C3=C(C=CC=C3(N+)(=O)(O))C(=O)O)C(=O)O
COc1ccc2c(c1)c(CCNC(=O)c1c(cccc1(N+)(=O)(O))C(=O)O)c((nH)2)C(=O)O
InChI=1SC20H17N3O8c13110561413(910)11(17(2214)20(27)28)782118(24)1612(19(25)26)32415(16)23(29)30h26922H78H21H3(H2124)(H2526)(H2728)
MFCD00337236
ZINC000002202568
ZINC2202568
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