Vitas-M small molecule compound
N-[(2Z)-5-{(E)-1-cyano-2-[5-nitro-2-(2-phenoxyethoxy)phenyl]ethenyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STL052888
SMILES N#C/C(=C\c1cc(ccc1OCCOc1ccccc1)[N+](=O)[O-])/c1n[nH]/c(=N/C(=O)c2ccccc2)/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 C26H19N5O5S MW 513.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O5S/c27-17-20(25-29-30-26(37-25)28-24(32)18-7-3-1-4-8-18)15-19-16-21(31(33)34)11-12-23(19)36-14-13-35-22-9-5-2-6-10-22/h1-12,15-16H,13-14H2,(H,28,30,32)/b20-15+InChIKey
SZZCOGHPAZUSCB-HMMYKYKNSA-NSynonyms
380549-25-7380549257
C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C(=CC3=C(C=CC(=C3)(N+)(=O)(O))OCCOC4=CC=CC=C4)C#N
InChI=1SC26H19N5O5Sc271720(25293026(3725)2824(32)187314818)15191621(31(33)34)111223(19)361413352295261022h1121516H1314H2(H283032)b2015+
MFCD05735903
N#CC(=Cc1cc(ccc1OCCOc1ccccc1)(N+)(=O)(O))c1n(nH)c(=NC(=O)c2ccccc2)s1
N((2Z)5((E)1cyano2(5nitro2(2phenoxyethoxy)phenyl)ethenyl)134thiadiazol2(3H)ylidene)benzamide
N(5((E)1CYANO2(5NITRO2(2PHENOXYETHOXY)PHENYL)ETHENYL)134THIADIAZOL2YL)BENZAMIDE
N(5(1CYANO2(5NITRO2(2PHENOXYETHOXY)PHENYL)VINYL)134THIADIAZOL2YL)BENZAMIDE
ZINC000016955621
ZINC16955621
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