Vitas-M small molecule compound
2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STL079624
SMILES O=C(NC1CCCCC1)CSc1nc2sc(c(c2c(=O)[nH]1)C)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 C16H19N3O4S2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S2/c1-8-11-13(21)18-16(19-14(11)25-12(8)15(22)23)24-7-10(20)17-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,17,20)(H,22,23)(H,18,19,21)InChIKey
QLCVEAXOOMTVCI-UHFFFAOYSA-NSynonyms
2((2(cyclohexylamino)2oxoethyl)sulfanyl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylicacid
2((NCYCLOHEXYLCARBAMOYL)METHYLTHIO)5METHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDINE6CARBOXYLICACID
2(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL5METHYL4OXO3HTHIENO(23D)PYRIMIDINE6CARBOXYLICACID
CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3CCCCC3)C(=O)O
InChI=1SC16H19N3O4S2c181113(21)1816(1914(11)2512(8)15(22)23)24710(20)179532469h9H27H21H3(H1720)(H2223)(H181921)
MFCD04445651
O=C(NC1CCCCC1)CSc1nc2sc(c(c2c(=O)(nH)1)C)C(=O)O
ZINC000002700718
ZINC2700718
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