Vitas-M small molecule compound
4-amino-2-{[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]sulfanyl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STL079631
SMILES O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CSc1nc(N)c2c(n1)sc(c2C)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 C24H29N3O4S2 MW 487.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O4S2/c1-11-16-19(25)26-22(27-20(16)33-18(11)21(30)31)32-10-15(28)12-8-13(23(2,3)4)17(29)14(9-12)24(5,6)7/h8-9,29H,10H2,1-7H3,(H,30,31)(H2,25,26,27)InChIKey
FGOFXRROFDMXQR-UHFFFAOYSA-NSynonyms
4amino2((2(35ditertbutyl4hydroxyphenyl)2oxoethyl)sulfanyl)5methylthieno(23d)pyrimidine6carboxylicacid
4amino2(2(35ditertbutyl4hydroxyphenyl)2oxoethyl)sulfanyl5methylthieno(23d)pyrimidine6carboxylicacid
CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)O
InChI=1SC24H29N3O4S2c1111619(25)2622(2720(16)3318(11)21(30)31)321015(28)12813(23(23)4)17(29)14(912)24(56)7h8929H10H217H3(H3031)(H2252627)
MFCD18200593
ZINC000067207076
ZINC67207076
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