Vitas-M small molecule compound
3-[(3-hydroxybutanoyl)amino]-5-methyl-4-oxo-2-sulfanyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK441953
SMILES CC(CC(=O)Nn1c(S)nc2c(c1=O)c(C)c(s2)C(=O)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 C12H13N3O5S2 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O5S2/c1-4(16)3-6(17)14-15-10(18)7-5(2)8(11(19)20)22-9(7)13-12(15)21/h4,16H,3H2,1-2H3,(H,13,21)(H,14,17)(H,19,20)InChIKey
ZYALDBJZFGBCIC-UHFFFAOYSA-NSynonyms
3((3hydroxybutanoyl)amino)5methyl4oxo2sulfanyl34dihydrothieno(23d)pyrimidine6carboxylicacid
3(3HYDROXYBUTANOYLAMINO)5METHYL4OXO2SULFANYL3HYDROTHIOPHENO(23D)PYRIMIDINE6CARBOXYLICACID
3(3hydroxybutanoylamino)5methyl4oxo2sulfanylidene1Hthieno(23d)pyrimidine6carboxylicacid
CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)CC(C)O)C(=O)O
InChI=1SC12H13N3O5S2c14(16)36(17)141510(18)75(2)8(11(19)20)229(7)1312(15)21h416H3H212H3(H1321)(H1417)(H1920)
MFCD03900595
ZINC000017071663
ZINC000017071664
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