Vitas-M small molecule compound
N-[(2E)-5-(2-methoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-nitrobenzamide
Catalog ID
STL051729
SMILES COCCc1n[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 C12H12N4O4S MW 308.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O4S/c1-20-7-6-10-14-15-12(21-10)13-11(17)8-4-2-3-5-9(8)16(18)19/h2-5H,6-7H2,1H3,(H,13,15,17)InChIKey
XQLWBERKMQXUER-UHFFFAOYSA-NSynonyms
714928-68-4714928684
COCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
COCCc1n(nH)c(=NC(=O)c2ccccc2(N+)(=O)(O))s1
InChI=1SC12H12N4O4Sc1207610141512(2110)1311(17)842359(8)16(18)19h25H67H21H3(H131517)
MFCD05734820
N((2E)5(2methoxyethyl)134thiadiazol2(3H)ylidene)2nitrobenzamide
N(5(2METHOXYETHYL)134THIADIAZOL2YL)2NITROBENZAMIDE
ZINC000095116131
ZINC95116131
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