Vitas-M small molecule compound
N-[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]tryptophan
Catalog ID
STK617250
SMILES SC1=NC(=O)/C(=C/NC(C(=O)O)Cc2c[nH]c3c2cccc3)/C(=N1)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 C16H14N4O4S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4S/c21-13-10(14(22)20-16(25)19-13)7-18-12(15(23)24)5-8-6-17-11-4-2-1-3-9(8)11/h1-4,6-7,12,17-18H,5H2,(H,23,24)(H2,19,20,21,22,25)InChIKey
DIKNXIQNBAZULC-UHFFFAOYSA-NSynonyms
2((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3(1Hindol3yl)propanoicacid
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC=C3C(=O)NC(=S)NC3=O
InChI=1SC16H14N4O4Sc211310(14(22)2016(25)1913)71812(15(23)24)586171142139(8)11h1467121718H5H2(H2324)(H21920212225)
MFCD08736206
N((E)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)tryptophan
SC1=NC(=O)C(=CNC(C(=O)O)Cc2c(nH)c3c2cccc3)C(=N1)O
ZINC000020588456
ZINC000020588458
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