Vitas-M small molecule compound
ethyl [(5E)-5-{[(2-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Catalog ID
STL053315
SMILES CCOC(=O)Cc1n[nH]/c(=N\C(=O)c2ccccc2[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 C13H12N4O5S MW 336.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5S/c1-2-22-11(18)7-10-15-16-13(23-10)14-12(19)8-5-3-4-6-9(8)17(20)21/h3-6H,2,7H2,1H3,(H,14,16,19)InChIKey
TVINXWFKFKJZFD-UHFFFAOYSA-NSynonyms
341941-68-2341941682
CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
CCOC(=O)Cc1n(nH)c(=NC(=O)c2ccccc2(N+)(=O)(O))s1
ethyl((5E)5(((2nitrophenyl)carbonyl)imino)45dihydro134thiadiazol2yl)acetate
ETHYL2(5((2NITROBENZOYL)AMINO)134THIADIAZOL2YL)ACETATE
InChI=1SC13H12N4O5Sc122211(18)710151613(2310)1412(19)853469(8)17(20)21h36H27H21H3(H141619)
MFCD05730330
ZINC000009349715
ZINC09349715
ZINC9349715
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