Vitas-M small molecule compound

6a-hydroxyhexahydro-1,4-methanopentalen-3a(1H)-yl 4-methylbenzenesulfonate

Catalog ID
STL335143
SMILES Cc1ccc(cc1)S(=O)(=O)OC12CCC3C2(O)CCC1C3

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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 C16H20O4S MW 308.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20O4S/c1-11-2-4-14(5-3-11)21(18,19)20-16-9-7-12-10-13(16)6-8-15(12,16)17/h2-5,12-13,17H,6-10H2,1H3
InChIKey
OUQYXICAGIWFHJ-UHFFFAOYSA-N
Synonyms

(1R3AR4R6AR)6AHYDROXYHEXAHYDRO14METHANOPENTALEN3A(1H)YL4METHYLBENZENESULFONATE
(1R4R6aR)6ahydroxyoctahydro14methanopentalen3ayl4methylbenzenesulfonate
6ahydroxyhexahydro14methanopentalen3a(1H)yl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC23CCC4C2(CCC3C4)O
Cc1ccc(cc1)S(=O)(=O)OC12CCC3(C@)2(O)CC(C@@H)1C3
InChI=1SC16H20O4Sc1112414(5311)21(1819)201697121013(16)6815(1216)17h25121317H610H21H3
MFCD00563085
ZINC000108520567

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Available files

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