Vitas-M small molecule compound
methyl 4-hydroxy-5-[6-(4-methoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
Catalog ID
STK785757
SMILES COc1ccc(cc1)c1[nH]c2c(c1c1sc(c(c1O)C(=O)OC)C)c(=O)[nH]c(=O)[nH]2
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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 C20H17N3O6S MW 427.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6S/c1-8-11(19(26)29-3)15(24)16(30-8)12-13-17(22-20(27)23-18(13)25)21-14(12)9-4-6-10(28-2)7-5-9/h4-7,24H,1-3H3,(H3,21,22,23,25,27)InChIKey
WIUXSJIJQADGSM-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)C2=C(NC3=C2C(=O)NC(=O)N3)C4=CC=C(C=C4)OC)O)C(=O)OC
COc1ccc(cc1)c1(nH)c2c(c1c1sc(c(c1O)C(=O)OC)C)c(=O)(nH)c(=O)(nH)2
InChI=1SC20H17N3O6Sc1811(19(26)293)15(24)16(308)121317(2220(27)2318(13)25)2114(12)94610(282)759h4724H13H3(H32122232527)
METHYL4HYDROXY5(6(4METHOXYPHENYL)24DIOXO(13DIHYDROPYRROLO(23D)PYRIMIDIN5YL))2METHYLTHIOPHENE3CARBOXYLATE
METHYL4HYDROXY5(6(4METHOXYPHENYL)24DIOXO17DIHYDROPYRROLO(23D)PYRIMIDIN5YL)2METHYLTHIOPHENE3CARBOXYLATE
methyl4hydroxy5(6(4methoxyphenyl)24dioxo2347tetrahydro1Hpyrrolo(23d)pyrimidin5yl)2methylthiophene3carboxylate
MFCD07800612
ZINC000012372146
ZINC12372146
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