Vitas-M small molecule compound
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitrobenzamide
Catalog ID
STK447968
SMILES CCc1nnc(s1)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])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 C12H11N5O5S MW 337.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O5S/c1-3-10-14-15-12(23-10)13-11(18)7-4-8(16(19)20)6(2)9(5-7)17(21)22/h4-5H,3H2,1-2H3,(H,13,15,18)InChIKey
CQXRRGMJQSCGRD-UHFFFAOYSA-NSynonyms
CCC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2)(N+)(=O)(O))C)(N+)(=O)(O)
CCc1nnc(s1)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
InChI=1SC12H11N5O5Sc1310141512(2310)1311(18)748(16(19)20)6(2)9(57)17(21)22h45H3H212H3(H131518)
MFCD01345676
N(5ETHYL(134THIADIAZOL2YL))(4METHYL35DINITROPHENYL)CARBOXAMIDE
N(5ethyl134thiadiazol2yl)4methyl35dinitrobenzamide
ZINC000015963519
ZINC15963519
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