Vitas-M small molecule compound
1,1',3,3'-tetra(butan-2-yl)octahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
Catalog ID
STK661582
SMILES CCC(N1C2OC(OC2N(S1(=O)=O)C(CC)C)C1OC2C(O1)N(S(=O)(=O)N2C(CC)C)C(CC)C)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H42N4O8S2 MW 554.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H42N4O8S2/c1-9-13(5)23-17-18(24(14(6)10-2)35(23,27)28)32-21(31-17)22-33-19-20(34-22)26(16(8)12-4)36(29,30)25(19)15(7)11-3/h13-22H,9-12H2,1-8H3InChIKey
LRTSTELZGUFNQB-UHFFFAOYSA-NSynonyms
1133tetra(butan2yl)octahydro5H5H55bi(13)dioxolo(45c)(125)thiadiazole2222tetraoxide
13DI(BUTAN2YL)5(13DI(BUTAN2YL)22DIOXO3A6ADIHYDRO(13)DIOXOLO(45C)(125)THIADIAZOL5YL)3A6ADIHYDRO(13)DIOXOLO(45C)(125)THIADIAZOLE22DIOXIDE
CCC(C)N1C2C(N(S1(=O)=O)C(C)CC)OC(O2)C3OC4C(O3)N(S(=O)(=O)N4C(C)CC)C(C)CC
InChI=1SC22H42N4O8S2c1913(5)231718(24(14(6)102)35(2327)28)3221(3117)22331920(3422)26(16(8)124)36(2930)25(19)15(7)113h1322H912H218H3
MFCD02319995
ZINC000245235574
ZINC000245235577
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