Vitas-M small molecule compound
N'-[(4-tert-butylphenyl)sulfonyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide (non-preferred name)
Catalog ID
STK891393
SMILES O=C(C1OC2OC3(OC2C2C1OC1(O2)CCCCC1)CCCCC3)NNS(=O)(=O)c1ccc(cc1)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 C28H40N2O8S MW 564.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O8S/c1-26(2,3)18-10-12-19(13-11-18)39(32,33)30-29-24(31)22-20-21(36-27(35-20)14-6-4-7-15-27)23-25(34-22)38-28(37-23)16-8-5-9-17-28/h10-13,20-23,25,30H,4-9,14-17H2,1-3H3,(H,29,31)InChIKey
XYEJYCGNJALPOJ-UHFFFAOYSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2C3C(C4C(O2)OC5(O4)CCCCC5)OC6(O3)CCCCC6
InChI=1SC28H40N2O8Sc126(23)18101219(131118)39(3233)302924(31)222021(3627(3520)146471527)2325(3422)3828(3723)168591728h101320232530H491417H213H3(H2931)
MFCD01843463
N((4tertbutylphenyl)sulfonyl)tetrahydro3aHdispiro(cyclohexane12bis(13)dioxolo(45b45d)pyran71cyclohexane)5carbohydrazide(nonpreferredname)
ZINC000104783484
ZINC000230040858
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