Vitas-M small molecule compound
(2E)-4-({3-[carboxy(thiomorpholin-4-yl)methyl]-1H-indol-5-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK657254
SMILES O=C(Nc1ccc2c(c1)c(c[nH]2)C(C(=O)O)N1CCSCC1)/C=C/C(=O)O
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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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c22-15(3-4-16(23)24)20-11-1-2-14-12(9-11)13(10-19-14)17(18(25)26)21-5-7-27-8-6-21/h1-4,9-10,17,19H,5-8H2,(H,20,22)(H,23,24)(H,25,26)/b4-3+InChIKey
YGYBBOZMRKECTI-ONEGZZNKSA-NSynonyms
(2E)4((3(carboxy(thiomorpholin4yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(thiomorpholin4yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(thiomorpholino)methyl)1Hindol5yl)amino)4oxobut2enoicacid
C1CSCCN1C(C2=CNC3=C2C=C(C=C3)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC18H19N3O5Sc2215(3416(23)24)2011121412(911)13(101914)17(18(25)26)2157278621h149101719H58H2(H2022)(H2324)(H2526)b43+
MFCD12214865
O=C(Nc1ccc2c(c1)c(c(nH)2)C(C(=O)O)N1CCSCC1)C=CC(=O)O
ZINC000032094510
ZINC000032094512
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