Vitas-M small molecule compound
[4-chloro-3-(morpholin-4-ylsulfonyl)phenyl][(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889207
SMILES O=C(N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)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 C27H26ClN3O4S3 MW 588.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O4S3/c28-22-9-8-19(17-24(22)38(33,34)30-10-12-35-13-11-30)27(32)31-26(23-7-3-15-37-23)21-6-1-4-18(25(21)29-31)16-20-5-2-14-36-20/h2-3,5,7-9,14-17,21,26H,1,4,6,10-13H2/b18-16+InChIKey
CDNCQILTCHJXMP-FBMGVBCBSA-NSynonyms
(4chloro3(morpholin4ylsulfonyl)phenyl)((7E)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(4CHLORO3MORPHOLIN4YLSULFONYLPHENYL)((7E)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCOCC5)C6=CC=CS6
InChI=1SC27H26ClN3O4S3c28229819(1724(22)38(3334)30101235131130)27(32)3126(2373153723)2161418(25(21)2931)162052143620h2357914172126H1461013H2b1816+
MFCD02703833
O=C(N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl
ZINC000097965197
ZINC000097965200
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.