Vitas-M small molecule compound
1-benzyl-3-[carboxy(thiomorpholin-4-yl)methyl]-1H-indole-5-carboxylic acid
Catalog ID
STK932417
SMILES OC(=O)C(c1cn(c2c1cc(cc2)C(=O)O)Cc1ccccc1)N1CCSCC1
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c25-21(26)16-6-7-19-17(12-16)18(14-24(19)13-15-4-2-1-3-5-15)20(22(27)28)23-8-10-29-11-9-23/h1-7,12,14,20H,8-11,13H2,(H,25,26)(H,27,28)InChIKey
RQZZNJRKCNYJQU-UHFFFAOYSA-NSynonyms
1214819-67-61214819676
1benzyl3(carboxy(thiomorpholin4yl)methyl)1Hindole5carboxylicacid
1benzyl3(carboxy(thiomorpholin4yl)methyl)indole5carboxylicacid
1benzyl3(carboxy(thiomorpholino)methyl)1Hindole5carboxylicacid
C1CSCCN1C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O
InChI=1SC22H22N2O4Sc2521(26)16671917(1216)18(1424(19)13154213515)20(22(27)28)238102911923h17121420H81113H2(H2526)(H2728)
MFCD13759647
ZINC000036360484
ZINC000036360485
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