Vitas-M small molecule compound
2-[(2-{[4-(ethoxycarbonyl)benzyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STL079616
SMILES CCOC(=O)c1ccc(cc1)CNC(=O)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 C20H19N3O6S2 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S2/c1-3-29-19(28)12-6-4-11(5-7-12)8-21-13(24)9-30-20-22-16(25)14-10(2)15(18(26)27)31-17(14)23-20/h4-7H,3,8-9H2,1-2H3,(H,21,24)(H,26,27)(H,22,23,25)InChIKey
HHSGBEFVLFHAKG-UHFFFAOYSA-NSynonyms
708281-26-92((2((4(ethoxycarbonyl)benzyl)amino)2oxoethyl)sulfanyl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylicacid
2((2((4(ETHOXYCARBONYL)BENZYL)AMINO)2OXOETHYL)THIO)5METHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLICACID
2((N((4(ETHOXYCARBONYL)PHENYL)METHYL)CARBAMOYL)METHYLTHIO)5METHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDINE6CARBOXYLICACID
2(2((4ETHOXYCARBONYLPHENYL)METHYLAMINO)2OXOETHYL)SULFANYL5METHYL4OXO3HTHIENO(23D)PYRIMIDINE6CARBOXYLICACID
708281269
CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2
CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nc2sc(c(c2c(=O)(nH)1)C)C(=O)O
InChI=1SC20H19N3O6S2c132919(28)126411(5712)82113(24)930202216(25)1410(2)15(18(26)27)3117(14)2320h47H389H212H3(H2124)(H2627)(H222325)
MFCD04445496
ZINC000002699817
ZINC2699817
Check stock
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Check stock on Vitas-MAvailable files
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