Vitas-M small molecule compound
ethyl 5-(3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
Catalog ID
STK944908
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CNC(CO)(CO)CO)O)cc2)c1ccc(cc1)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 C26H34N2O7 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O7/c1-4-34-25(33)24-18(3)28(19-7-5-17(2)6-8-19)23-10-9-21(11-22(23)24)35-13-20(32)12-27-26(14-29,15-30)16-31/h5-11,20,27,29-32H,4,12-16H2,1-3H3InChIKey
JRTBBEJZMJSDQI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(CO)(CO)CO)O)C3=CC=C(C=C3)C)C
ETHYL5(3((11BIS(HYDROXYMETHYL)2HYDROXYETHYL)AMINO)2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
ethyl5(3((13dihydroxy2(hydroxymethyl)propan2yl)amino)2hydroxypropoxy)2methyl1(4methylphenyl)1Hindole3carboxylate
ETHYL5(3((13DIHYDROXY2(HYDROXYMETHYL)PROPAN2YL)AMINO)2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
InChI=1SC26H34N2O7c143425(33)2418(3)28(197517(2)6819)2310921(1122(23)24)351320(32)122726(14291530)1631h51120272932H41216H213H3
MFCD03130495
ZINC000009805227
ZINC000009805228
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