Vitas-M small molecule compound

4-methyl-N-{4-methyl-1-[13-(4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoyl)-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl]-1-oxopentan-2-yl}benzenesulfonamide

Catalog ID
STK392335
SMILES CC(CC(C(=O)N1CCOCCN(CCOCCOCC1)C(=O)C(NS(=O)(=O)c1ccc(cc1)C)CC(C)C)NS(=O)(=O)c1ccc(cc1)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 C36H56N4O9S2 MW 752.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H56N4O9S2/c1-27(2)25-33(37-50(43,44)31-11-7-29(5)8-12-31)35(41)39-15-19-47-20-16-40(18-22-49-24-23-48-21-17-39)36(42)34(26-28(3)4)38-51(45,46)32-13-9-30(6)10-14-32/h7-14,27-28,33-34,37-38H,15-26H2,1-6H3
InChIKey
KTHOLWCFQOJMJH-UHFFFAOYSA-N
Synonyms

4methylN(4methyl1(13(4methyl2(((4methylphenyl)sulfonyl)amino)pentanoyl)1410trioxa713diazacyclopentadecan7yl)1oxopentan2yl)benzenesulfonamide
4methylN(4methyl1(13(4methyl2((4methylphenyl)sulfonylamino)pentanoyl)1410trioxa713diazacyclopentadec7yl)1oxopentan2yl)benzenesulfonamide
CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCOCCN(CCOCCOCC2)C(=O)C(CC(C)C)NS(=O)(=O)C3=CC=C(C=C3)C
InChI=1SC36H56N4O9S2c127(2)2533(3750(4344)3111729(5)81231)35(41)39151947201640(182249242348211739)36(42)34(2628(3)4)3851(4546)3213930(6)101432h714272833343738H1526H216H3
MFCD00302587
ZINC000004018408
ZINC000150386885

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Available files

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