Vitas-M small molecule compound

methyl 2-tert-butyl-6-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate

Catalog ID
STK229906
SMILES COC(=O)c1c2cc(NS(=O)(=O)c3ccc4c5c3cccc5c(=O)[nH]4)c(cc2oc1C(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 C26H24N2O6S MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S/c1-13-11-19-16(22(25(30)33-5)23(34-19)26(2,3)4)12-18(13)28-35(31,32)20-10-9-17-21-14(20)7-6-8-15(21)24(29)27-17/h6-12,28H,1-5H3,(H,27,29)
InChIKey
NTCKKOPTDISUCY-UHFFFAOYSA-N
Synonyms

CC1=C(C=C2C(=C1)OC(=C2C(=O)OC)C(C)(C)C)NS(=O)(=O)C3=C4C=CC=C5C4=C(C=C3)NC5=O
COC(=O)c1c2cc(NS(=O)(=O)c3ccc4c5c3cccc5c(=O)(nH)4)c(cc2oc1C(C)(C)C)C
InChI=1SC26H24N2O6Sc113111916(22(25(30)335)23(3419)26(23)4)1218(13)2835(3132)20109172114(20)76815(21)24(29)2717h61228H15H3(H2729)
methyl2tertbutyl6methyl5(((2oxo12dihydrobenzo(cd)indol6yl)sulfonyl)amino)1benzofuran3carboxylate
methyl2tertbutyl6methyl5((2oxo1Hbenzo(cd)indol6yl)sulfonylamino)1benzofuran3carboxylate
MFCD07330290
ZINC000008870388
ZINC08870388
ZINC8870388

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Available files

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