Vitas-M small molecule compound

N-[2-(2-{(Z)-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]propanamide

Catalog ID
STL514474
SMILES CCC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)CCc2ccccc2)S)[nH]c2c1cccc2

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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-2-23(31)27-14-12-19-18-10-6-7-11-21(18)28-22(19)16-20-24(32)29-26(34)30(25(20)33)15-13-17-8-4-3-5-9-17/h3-11,16,28H,2,12-15H2,1H3,(H,27,31)(H,29,32,34)/b20-16-
InChIKey
BNOWOAZFMFGBNH-SILNSSARSA-N
Synonyms

InChI=1SC26H26N4O3Sc1223(31)271412191810671121(18)2822(19)162024(32)2926(34)30(25(20)33)1513178435917h3111628H21215H21H3(H2731)(H293234)b2016
MFCD05734614
N(2(2((Z)(46dioxo1(2phenylethyl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol3yl)ethyl)propanamide
ZINC000017251100

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Available files

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