Vitas-M small molecule compound

3-[(Z)-{2-[(5-{[(4-methoxyphenyl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene}methyl]phenyl 4-methylbenzenesulfonate

Catalog ID
STK531889
SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)CC(=O)N/N=C\c1cccc(c1)OS(=O)(=O)c1ccc(cc1)C

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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 C26H23N5O6S2 MW 565.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O6S2/c1-17-6-12-22(13-7-17)39(34,35)37-21-5-3-4-18(14-21)16-27-29-23(32)15-24-30-31-26(38-24)28-25(33)19-8-10-20(36-2)11-9-19/h3-14,16H,15H2,1-2H3,(H,29,32)(H,28,31,33)/b27-16-
InChIKey
PZFMLXUCONVESS-YUMHPJSZSA-N
Synonyms

(3((Z)((2(5((4METHOXYBENZOYL)AMINO)134THIADIAZOL2YL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
(Z)3((2(2(5(4methoxybenzamido)134thiadiazol2yl)acetyl)hydrazono)methyl)phenyl4methylbenzenesulfonate
3((Z)(2((5(((4methoxyphenyl)carbonyl)amino)134thiadiazol2yl)acetyl)hydrazinylidene)methyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC(=O)CC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)Nc1nnc(s1)CC(=O)NN=Cc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C
InChI=1SC26H23N5O6S2c11761222(13717)39(3435)372153418(1421)16272923(32)1524303126(3824)2825(33)1981020(362)11919h31416H15H212H3(H2932)(H283133)b2716
MFCD02991851
ZINC000097966391
ZINC01860471
ZINC1860471

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.