Vitas-M small molecule compound

2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate

Catalog ID
STK135819
SMILES O=C(Nc1ccc(cc1C(=O)c1ccccc1)Cl)CSC(=S)N1CCN(CC1)Cc1ccccc1

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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 C27H26ClN3O2S2 MW 524.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S2/c28-22-11-12-24(23(17-22)26(33)21-9-5-2-6-10-21)29-25(32)19-35-27(34)31-15-13-30(14-16-31)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H,29,32)
InChIKey
MGHSXGIOCFSSIR-UHFFFAOYSA-N
Synonyms
577984-96-4
(2(2BENZOYL4CHLOROANILINO)2OXOETHYL)4BENZYLPIPERAZINE1CARBODITHIOATE
2((2benzoyl4chlorophenyl)amino)2oxoethyl4benzylpiperazine1carbodithioate
2((4CHLORO2(PHENYLCARBONYL)PHENYL)AMINO)2OXOETHYL4BENZYLPIPERAZINE1CARBODITHIOATE
577984964
C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI=1SC27H26ClN3O2S2c2822111224(23(1722)26(33)2195261021)2925(32)193527(34)31151330(141631)18207314820h11217H13161819H2(H2932)
MFCD03941336
N(4CHLORO2(PHENYLCARBONYL)PHENYL)2((4BENZYLPIPERAZINYL)THIOXOMETHYLTHIO)ACETAMIDE
ZINC000019831905
ZINC19831905

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Available files

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