Vitas-M small molecule compound
tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl 4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate
Catalog ID
STK272056
SMILES O=C(c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)OCC12CC3CC(C2)CC(C1)C3
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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 C27H31N3O5S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5S/c1-29-23-8-7-22(12-24(23)30(2)26(29)32)36(33,34)28-21-5-3-20(4-6-21)25(31)35-16-27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19,28H,9-11,13-16H2,1-2H3InChIKey
JZMUHYXYYOHSEC-UHFFFAOYSA-NSynonyms
1ADAMANTYLMETHYL4((13DIMETHYL2OXOBENZIMIDAZOL5YL)SULFONYLAMINO)BENZOATE
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC45CC6CC(C4)CC(C6)C5)N(C1=O)C
InChI=1SC27H31N3O5Sc129238722(1224(23)30(2)26(29)32)36(3334)28215320(4621)25(31)3516271317918(1427)1119(1017)1527h3812171928H9111316H212H3
MFCD06617340
tricyclo(3311~37~)dec1ylmethyl4(((13dimethyl2oxo23dihydro1Hbenzimidazol5yl)sulfonyl)amino)benzoate
ZINC000009526091
ZINC09526091
ZINC9526091
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