Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-chlorophenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733703
SMILES Clc1ccc(cc1)N/N=C(\C(=O)C)/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 C30H30ClN5O2S MW 560.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClN5O2S/c1-21(37)29(34-32-25-16-14-24(31)15-17-25)39-30-35-33-28(36(30)26-10-6-3-7-11-26)20-38-27-18-12-23(13-19-27)22-8-4-2-5-9-22/h3,6-7,10-19,22,32H,2,4-5,8-9,20H2,1H3/b34-29+InChIKey
GGBNTAXFTYYXMH-RIHQVDFKSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)N(4CHLOROANILINO)2OXOPROPANIMIDOTHIOATE
(Z)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3ylN(4chlorophenyl)2oxopropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)N(4chlorophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC=C(C=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
Clc1ccc(cc1)NN=C(C(=O)C)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC30H30ClN5O2Sc121(37)29(343225161424(31)151725)3930353328(36(30)26106371126)203827181223(131927)228425922h36710192232H2458920H21H3b3429+
MFCD03614763
ZINC000001815140
ZINC102659769
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