Vitas-M small molecule compound
ethyl 6-bromo-5-methoxy-2-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-1-phenyl-1H-indole-3-carboxylate
Catalog ID
STK674324
SMILES CCOC(=O)c1c2cc(OC)c(cc2n(c1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)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 C29H29BrN4O5 MW 593.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN4O5/c1-3-39-29(35)28-23-17-27(38-2)24(30)18-25(23)33(21-7-5-4-6-8-21)26(28)19-31-13-15-32(16-14-31)20-9-11-22(12-10-20)34(36)37/h4-12,17-18H,3,13-16,19H2,1-2H3InChIKey
KMZNMJBMSDYLFW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)(N+)(=O)(O)
CCOC(=O)c1c2cc(OC)c(cc2n(c1CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))c1ccccc1)Br
ETHYL6BROMO2((4(4NITROPHENYL)1PIPERAZINYL)METHYL)5METHOXY1PHENYL1HINDOLE3CARBOXYLATE
ethyl6bromo5methoxy2((4(4nitrophenyl)piperazin1yl)methyl)1phenyl1Hindole3carboxylate
ETHYL6BROMO5METHOXY2((4(4NITROPHENYL)PIPERAZIN1YL)METHYL)1PHENYLINDOLE3CARBOXYLATE
InChI=1SC29H29BrN4O5c133929(35)28231727(382)24(30)1825(23)33(217546821)26(28)1931131532(161431)2091122(121020)34(36)37h4121718H3131619H212H3
MFCD01202930
ZINC000097966089
ZINC97966089
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