Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK033693
SMILES [O-][N+](=O)c1cc2OCOc2cc1C1NC(=O)N(C(=C1C(=O)OCCSCC)C)C
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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 C18H21N3O7S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O7S/c1-4-29-6-5-26-17(22)15-10(2)20(3)18(23)19-16(15)11-7-13-14(28-9-27-13)8-12(11)21(24)25/h7-8,16H,4-6,9H2,1-3H3,(H,19,23)InChIKey
ZWWFBFIDJZUZCM-UHFFFAOYSA-NSynonyms
303137-04-4(O)(N+)(=O)c1cc2OCOc2cc1C1NC(=O)N(C(=C1C(=O)OCCSCC)C)C
2(ethylsulfanyl)ethyl16dimethyl4(6nitro13benzodioxol5yl)2oxo1234tetrahydropyrimidine5carboxylate
2ETHYLSULFANYLETHYL34DIMETHYL6(6NITRO13BENZODIOXOL5YL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
303137044
CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2(N+)(=O)(O))OCO3)C)C
InChI=1SC18H21N3O7Sc1429652617(22)1510(2)20(3)18(23)1916(15)1171314(2892713)812(11)21(24)25h7816H469H213H3(H1923)
MFCD01122129
STK033693
ZINC000002080786
ZINC000002080787
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