Vitas-M small molecule compound
methyl (3S)-2-{[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Catalog ID
STL533613
SMILES CCCCc1cc(=O)oc2c1c(OCC(=O)N1Cc3[nH]c4c(c3C[C@H]1C(=O)OC)cccc4)cc(c2)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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-4-5-8-18-13-27(33)37-25-12-17(2)11-24(28(18)25)36-16-26(32)31-15-22-20(14-23(31)29(34)35-3)19-9-6-7-10-21(19)30-22/h6-7,9-13,23,30H,4-5,8,14-16H2,1-3H3/t23-/m0/s1InChIKey
USKDWDUNHJEKIJ-QHCPKHFHSA-NSynonyms
956928-33-9(S)methyl2(2((4butyl7methyl2oxo2Hchromen5yl)oxy)acetyl)2349tetrahydro1Hpyrido(34b)indole3carboxylate
16399017
956928339
CCCCc1cc(=O)oc2c1c(OCC(=O)N1Cc3(nH)c4c(c3C(C@H)1C(=O)OC)cccc4)cc(c2)C
InChI=1SC29H30N2O6c1458181327(33)37251217(2)1124(28(18)25)361626(32)31152220(1423(31)29(34)353)199671021(19)3022h679132330H4581416H213H3t23m0s1
methyl(3~(S))2(2(4butyl7methyl2oxochromen5yl)oxyacetyl)1349tetrahydropyrido(34b)indole3carboxylate
methyl(3S)2(((4butyl7methyl2oxo2Hchromen5yl)oxy)acetyl)2349tetrahydro1Hbetacarboline3carboxylate
MFCD03853444
ZINC000012662031
ZINC12662031
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