Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733701
SMILES CC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
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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 C30H30N6O4S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N6O4S/c1-21(37)29(33-31-24-14-16-26(17-15-24)36(38)39)41-30-34-32-28(35(30)25-10-6-3-7-11-25)20-40-27-18-12-23(13-19-27)22-8-4-2-5-9-22/h3,6-7,10-19,22,31H,2,4-5,8-9,20H2,1H3/b33-29+InChIKey
VJDDDCKVDABRTF-XPXRSFDGSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)N(4NITROANILINO)2OXOPROPANIMIDOTHIOATE
(E)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3ylN(4nitrophenyl)2oxopropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)N(4nitrophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
CC(=O)C(=NNc1ccc(cc1)(N+)(=O)(O))Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC30H30N6O4Sc121(37)29(333124141626(171524)36(38)39)4130343228(35(30)25106371125)204027181223(131927)228425922h36710192231H2458920H21H3b3329+
MFCD02988133
ZINC000101400497
ZINC102659764
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