Vitas-M small molecule compound

3-(diethylamino)propyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

Catalog ID
STK685452
SMILES CCN(CCCOC(=O)c1c(CSc2ccccc2)n(c2c1cc(OC)c(c2)Br)C)CC

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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 C25H31BrN2O3S MW 519.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31BrN2O3S/c1-5-28(6-2)13-10-14-31-25(29)24-19-15-23(30-4)20(26)16-21(19)27(3)22(24)17-32-18-11-8-7-9-12-18/h7-9,11-12,15-16H,5-6,10,13-14,17H2,1-4H3
InChIKey
YBGZSQDMEURFMO-UHFFFAOYSA-N
Synonyms

3(diethylamino)propyl6bromo5methoxy1methyl2((phenylsulfanyl)methyl)1Hindole3carboxylate
3(DIETHYLAMINO)PROPYL6BROMO5METHOXY1METHYL2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
CCN(CC)CCCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3
InChI=1SC25H31BrN2O3Sc1528(62)1310143125(29)24191523(304)20(26)1621(19)27(3)22(24)173218118791218h7911121516H5610131417H214H3
MFCD05859089
ZINC000012411620
ZINC12411620

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.