Vitas-M small molecule compound

2-methoxy-4-{(E)-[2-({1-[(2,4,6-trimethylphenyl)sulfonyl]piperidin-4-yl}carbonyl)hydrazinylidene]methyl}phenyl 2,4-dichlorobenzoate

Catalog ID
STK476911
SMILES COc1cc(/C=N/NC(=O)C2CCN(CC2)S(=O)(=O)c2c(C)cc(cc2C)C)ccc1OC(=O)c1ccc(cc1Cl)Cl

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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 C30H31Cl2N3O6S MW 632.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31Cl2N3O6S/c1-18-13-19(2)28(20(3)14-18)42(38,39)35-11-9-22(10-12-35)29(36)34-33-17-21-5-8-26(27(15-21)40-4)41-30(37)24-7-6-23(31)16-25(24)32/h5-8,13-17,22H,9-12H2,1-4H3,(H,34,36)/b33-17+
InChIKey
OHFGLINQIGWYAY-ATZGPIRCSA-N
Synonyms

(2methoxy4((E)((1(246trimethylphenyl)sulfonylpiperidine4carbonyl)hydrazinylidene)methyl)phenyl)24dichlorobenzoate
2methoxy4((E)(2((1((246trimethylphenyl)sulfonyl)piperidin4yl)carbonyl)hydrazinylidene)methyl)phenyl24dichlorobenzoate
4((1E)2((1((246TRIMETHYLPHENYL)SULFONYL)(4PIPERIDYL))CARBONYLAMINO)2AZAVINYL)2METHOXYPHENYL24DICHLOROBENZOATE
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC(=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)OC)C
COc1cc(C=NNC(=O)C2CCN(CC2)S(=O)(=O)c2c(C)cc(cc2C)C)ccc1OC(=O)c1ccc(cc1Cl)Cl
InChI=1SC30H31Cl2N3O6Sc1181319(2)28(20(3)1418)42(3839)3511922(101235)29(36)343317215826(27(1521)404)4130(37)247623(31)1625(24)32h58131722H912H214H3(H3436)b3317+
MFCD07757230
ZINC000097965849
ZINC150667943

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Available files

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