Vitas-M small molecule compound
3,5-dinitro-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STK582021
SMILES CCCc1n[nH]/c(=N\C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/s1
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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/c1-2-3-10-14-15-12(23-10)13-11(18)7-4-8(16(19)20)6-9(5-7)17(21)22/h4-6H,2-3H2,1H3,(H,13,15,18)InChIKey
VWWLGVVJTHKAFD-UHFFFAOYSA-NSynonyms
351198-66-8351198668
35dinitroN((2E)5propyl134thiadiazol2(3H)ylidene)benzamide
35DINITRON(5PROPYL134THIADIAZOL2YL)BENZAMIDE
CCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
CCCc1n(nH)c(=NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))s1
InChI=1SC12H11N5O5Sc12310141512(2310)1311(18)748(16(19)20)69(57)17(21)22h46H23H21H3(H131518)
MFCD07201076
ZINC000009348631
ZINC9348631
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