Vitas-M small molecule compound
N-[2-(4,5-dimethoxy-2-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)piperazin-1-yl]sulfonyl}phenyl)ethyl]methanesulfonamide
Catalog ID
STK666458
SMILES COc1cc(c(cc1OC)CCNS(=O)(=O)C)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C26H39N3O7S2 MW 569.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N3O7S2/c1-35-22-13-21(4-5-27-37(3,31)32)24(14-23(22)36-2)38(33,34)29-8-6-28(7-9-29)25(30)26-15-18-10-19(16-26)12-20(11-18)17-26/h13-14,18-20,27H,4-12,15-17H2,1-3H3InChIKey
BICYNVLNTQRAFC-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C(=C1)CCNS(=O)(=O)C)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC
InChI=1SC26H39N3O7S2c135221321(452737(331)32)24(1423(22)362)38(3334)298628(7929)25(30)2615181019(1626)1220(1118)1726h1314182027H4121517H213H3
MFCD09064023
N(2(2(4(adamantane1carbonyl)piperazin1yl)sulfonyl45dimethoxyphenyl)ethyl)methanesulfonamide
N(2(45dimethoxy2((4(tricyclo(3311~37~)dec1ylcarbonyl)piperazin1yl)sulfonyl)phenyl)ethyl)methanesulfonamide
ZINC000100228412
ZINC100228412
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