Vitas-M small molecule compound

3-propoxy-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide

Catalog ID
STK252029
SMILES CCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1

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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 C26H28N4O3S2 MW 508.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S2/c1-2-16-33-22-6-3-5-19(18-22)24(31)28-26(34)27-20-8-10-21(11-9-20)29-12-14-30(15-13-29)25(32)23-7-4-17-35-23/h3-11,17-18H,2,12-16H2,1H3,(H2,27,28,31,34)
InChIKey
YHGCCJPLPKCCEI-UHFFFAOYSA-N
Synonyms

(3PROPOXYPHENYL)N(((4(4(2THIENYLCARBONYL)PIPERAZINYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
3PROPOXYN((4(4(THIOPHEN2YLCARBONYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
3PROPOXYN((4(4(THIOPHENE2CARBONYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4
InChI=1SC26H28N4O3S2c1216332263519(1822)24(31)2826(34)272081021(11920)29121430(151329)25(32)2374173523h3111718H21216H21H3(H227283134)
MFCD03650489
ZINC000004109740
ZINC04109740
ZINC4109740

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Available files

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