Vitas-M small molecule compound
ethyl 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776068
SMILES CCOC(=O)C1=C(CSc2nnc(s2)C)NC(=O)NC1c1cccc(c1)[N+](=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 C17H17N5O5S2 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O5S2/c1-3-27-15(23)13-12(8-28-17-21-20-9(2)29-17)18-16(24)19-14(13)10-5-4-6-11(7-10)22(25)26/h4-7,14H,3,8H2,1-2H3,(H2,18,19,24)InChIKey
SDBOPUFIDBTSRB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2nnc(s2)C)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CSC3=NN=C(S3)C
ethyl6(((5methyl134thiadiazol2yl)sulfanyl)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC17H17N5O5S2c132715(23)1312(8281721209(2)2917)1816(24)1914(13)1054611(710)22(25)26h4714H38H212H3(H2181924)
MFCD05258464
ZINC000012412652
ZINC000012412653
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