Vitas-M small molecule compound

N-[(3-chloro-4-{4-[(4-propoxyphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,2-dimethylpropanamide

Catalog ID
STK383986
SMILES CCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=S)NC(=O)C(C)(C)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 C26H33ClN4O3S MW 517.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33ClN4O3S/c1-5-16-34-20-9-6-18(7-10-20)23(32)31-14-12-30(13-15-31)22-11-8-19(17-21(22)27)28-25(35)29-24(33)26(2,3)4/h6-11,17H,5,12-16H2,1-4H3,(H2,28,29,33,35)
InChIKey
RDPNJYMFZCPWGV-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C)(C)C)Cl
InChI=1SC26H33ClN4O3Sc151634209618(71020)23(32)31141230(131531)2211819(1721(22)27)2825(35)2924(33)26(23)4h61117H51216H214H3(H228293335)
MFCD11853253
N(((3CHLORO4(4((4PROPOXYPHENYL)CARBONYL)PIPERAZINYL)PHENYL)AMINO)THIOXOMETHYL)22DIMETHYLPROPANAMIDE
N((3chloro4(4((4propoxyphenyl)carbonyl)piperazin1yl)phenyl)carbamothioyl)22dimethylpropanamide
N((3CHLORO4(4(4PROPOXYBENZOYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)22DIMETHYLPROPANAMIDE
ZINC000004122908
ZINC04122908
ZINC4122908

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Available files

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