Vitas-M small molecule compound
dimethyl 4-{[2-(1H-indol-3-yl)ethyl]amino}-6-methyl-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate
Catalog ID
STK691649
SMILES COC(=O)C1C(=CC(=C(C1c1ccccc1)C(=O)OC)NCCc1c[nH]c2c1cccc2)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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-17-15-22(28-14-13-19-16-29-21-12-8-7-11-20(19)21)25(27(31)33-3)24(23(17)26(30)32-2)18-9-5-4-6-10-18/h4-12,15-16,23-24,28-29H,13-14H2,1-3H3InChIKey
QGLQPQSUYKIURL-UHFFFAOYSA-NSynonyms
936079-25-3936079253
CC1=CC(=C(C(C1C(=O)OC)C2=CC=CC=C2)C(=O)OC)NCCC3=CNC4=CC=CC=C43
COC(=O)C1C(=CC(=C(C1c1ccccc1)C(=O)OC)NCCc1c(nH)c2c1cccc2)C
dimethyl4((2(1Hindol3yl)ethyl)amino)6methyl2phenylcyclohexa35diene13dicarboxylate
dimethyl4(2(1Hindol3yl)ethylamino)6methyl2phenylcyclohexa35diene13dicarboxylate
InChI=1SC27H28N2O4c1171522(2814131916292112871120(19)21)25(27(31)333)24(23(17)26(30)322)1895461018h412151623242829H1314H213H3
METHYL4((2INDOL3YLETHYL)AMINO)5(METHOXYCARBONYL)2METHYL6PHENYLCYCLOHEXA24DIENECARBOXYLATE
MFCD10037749
ZINC000022172738
ZINC000022172750
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