Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(2-nitrophenoxy)acetyl]hydrazinylidene}methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK181463
SMILES COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccs1
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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 C21H17N3O7S MW 455.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O7S/c1-29-18-11-14(8-9-17(18)31-21(26)19-7-4-10-32-19)12-22-23-20(25)13-30-16-6-3-2-5-15(16)24(27)28/h2-12H,13H2,1H3,(H,23,25)/b22-12+InChIKey
GZUBGNRPBCSUFM-WSDLNYQXSA-NSynonyms
(2methoxy4((E)((2(2nitrophenoxy)acetyl)hydrazinylidene)methyl)phenyl)thiophene2carboxylate
2METHOXY4((E)(2((2NITROPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYLTHIOPHENE2CARBOXYLATE
COC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=CC=C2(N+)(=O)(O))OC(=O)C3=CC=CS3
COc1cc(C=NNC(=O)COc2ccccc2(N+)(=O)(O))ccc1OC(=O)c1cccs1
InChI=1SC21H17N3O7Sc129181114(8917(18)3121(26)1974103219)12222320(25)133016632515(16)24(27)28h212H13H21H3(H2325)b2212+
MFCD00787041
ZINC000003102432
ZINC96838869
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