Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(3-chlorophenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733702
SMILES Clc1cccc(c1)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(34-32-25-12-8-11-24(31)19-25)39-30-35-33-28(36(30)26-13-6-3-7-14-26)20-38-27-17-15-23(16-18-27)22-9-4-2-5-10-22/h3,6-8,11-19,22,32H,2,4-5,9-10,20H2,1H3/b34-29+InChIKey
DXBBTXNOFPNCFR-RIHQVDFKSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)N(3CHLOROANILINO)2OXOPROPANIMIDOTHIOATE
(E)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3ylN(3chlorophenyl)2oxopropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)N(3chlorophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC(=CC=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
Clc1cccc(c1)NN=C(C(=O)C)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC30H30ClN5O2Sc121(37)29(3432251281124(31)1925)3930353328(36(30)26136371426)203827171523(161827)2294251022h36811192232H24591020H21H3b3429+
MFCD01907148
ZINC000001835928
ZINC01835928
ZINC102659766
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