Vitas-M small molecule compound
methyl N-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]tryptophanate
Catalog ID
STK572219
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C\1/C(=NC(=NC1=O)S)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 C17H16N4O4S MW 372.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O4S/c1-25-16(24)13(6-9-7-18-12-5-3-2-4-10(9)12)19-8-11-14(22)20-17(26)21-15(11)23/h2-5,7-8,13,18-19H,6H2,1H3,(H2,20,21,22,23,26)InChIKey
HPJIZBKFIUHHME-UHFFFAOYSA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)NC3=O
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=NC1=O)S)O
InChI=1SC17H16N4O4Sc12516(24)13(6971812532410(9)12)1981114(22)2017(26)2115(11)23h2578131819H6H21H3(H22021222326)
METHYL2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)3(1HINDOL3YL)PROPANOATE
methylN((Z)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)tryptophanate
MFCD07211999
ZINC000101042370
ZINC000101042371
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