Vitas-M small molecule compound
N-[1-({[(8'E)-7'-benzyl-6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]amino}oxy)-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
Catalog ID
STL233795
SMILES CCCC(C(=O)O/N=c\1/oc2cc3OC4(CCCCC4)CCc3cc2c(c1Cc1ccccc1)C)NS(=O)(=O)c1ccc(cc1)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 C37H42N2O6S MW 642.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N2O6S/c1-4-11-32(39-46(41,42)29-16-14-25(2)15-17-29)36(40)45-38-35-31(22-27-12-7-5-8-13-27)26(3)30-23-28-18-21-37(19-9-6-10-20-37)44-33(28)24-34(30)43-35/h5,7-8,12-17,23-24,32,39H,4,6,9-11,18-22H2,1-3H3/b38-35+InChIKey
ADNAFXATXUDINT-OBEQGSJMSA-NSynonyms
((E)(7benzyl6methylspiro(34dihydropyrano(32g)chromene21cyclohexane)8ylidene)amino)2((4methylphenyl)sulfonylamino)pentanoate
(E)N(1(((7benzyl6methyl3Hspiro(cyclohexane12pyrano(32g)chromen)8(4H)ylidene)amino)oxy)1oxopentan2yl)4methylbenzenesulfonamide
CCCC(C(=O)ON=C1C(=C(C2=CC3=C(C=C2O1)OC4(CCCCC4)CC3)C)CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C
CCCC(C(=O)ON=c1oc2cc3OC4(CCCCC4)CCc3cc2c(c1Cc1ccccc1)C)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC37H42N2O6Sc141132(3946(4142)29161425(2)151729)36(40)45383531(2227127581327)26(3)302328182137(1996102037)4433(28)2434(30)4335h578121723243239H469111822H213H3b3835+
MFCD09845801
N(1((((8E)7benzyl6methyl34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)8ylidene)amino)oxy)1oxopentan2yl)4methylbenzenesulfonamide
ZINC000150446306
ZINC000150446315
Check stock
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Check stock on Vitas-MAvailable files
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