Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK675558
SMILES OCCN1CCN(CC1)Cc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)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 C21H28BrN3O5 MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28BrN3O5/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)23(3)18(20)13-25-7-5-24(6-8-25)9-10-26/h11-12,26H,4-10,13H2,1-3H3InChIKey
UYNUSFRRBOJRBS-UHFFFAOYSA-NSynonyms
340014-89-3340014893
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CN3CCN(CC3)CCO
ethyl5(acetyloxy)6bromo2((4(2hydroxyethyl)piperazin1yl)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC21H28BrN3O5c142921(28)20151119(3014(2)27)16(22)1217(15)23(3)18(20)13257524(6825)91026h111226H41013H213H3
MFCD01822180
ZINC000019830897
ZINC19830897
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