Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-1-cyclohexyl-2-{[4-(4-methylphenyl)piperazin-1-yl]methyl}-1H-indole-3-carboxylate
Catalog ID
STK686125
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CN1CCN(CC1)c1ccc(cc1)C)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 C31H38BrN3O4 MW 596.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38BrN3O4/c1-4-38-31(37)30-25-18-29(39-22(3)36)26(32)19-27(25)35(24-8-6-5-7-9-24)28(30)20-33-14-16-34(17-15-33)23-12-10-21(2)11-13-23/h10-13,18-19,24H,4-9,14-17,20H2,1-3H3InChIKey
NPGYKIRWFXSPKX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3CCCCC3)CN4CCN(CC4)C5=CC=C(C=C5)C
ETHYL5(ACETYLOXY)6BROMO1CYCLOHEXYL2((4(4METHYLPHENYL)PIPERAZIN1YL)METHYL)1HINDOLE3CARBOXYLATE
ETHYL5ACETYLOXY6BROMO1CYCLOHEXYL2((4(4METHYLPHENYL)PIPERAZIN1YL)METHYL)INDOLE3CARBOXYLATE
InChI=1SC31H38BrN3O4c143831(37)30251829(3922(3)36)26(32)1927(25)35(248657924)28(30)2033141634(171533)23121021(2)111323h1013181924H49141720H213H3
MFCD06014628
ZINC000098007840
ZINC98007840
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